ChEMBL ligand: CHEMBL503 (6.alpha.-methylcompactin, Altoprev, C10AA02, L-154803, Lovastatin, Mevacor, Mevinacor, Mevinacor 10, Mevinacor 40, Mevinolin, Mevlor, MK-803, Monacolin k, NSC-758662, Simvastatin impurity, lovastatin-, Sivlor)
Acetylcholinesterase in Electrophorus electricus [ChEMBL: CHEMBL4078] [UniProtKB: O42275] There should be some charts here, you may need to enable JavaScript!
Acyl-CoA:cholesterol acyltransferase in Rabbit [ChEMBL: CHEMBL6141] [UniProtKB: Q95214] There should be some charts here, you may need to enable JavaScript!
A1 receptor/Adenosine A1 receptor in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542] There should be some charts here, you may need to enable JavaScript!
Androgen receptor/Androgen Receptor in Rat [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207] There should be some charts here, you may need to enable JavaScript!
Cholinesterase in Equus caballus [ChEMBL: CHEMBL5763] [UniProtKB: P81908] There should be some charts here, you may need to enable JavaScript!
DAT/Dopamine transporter in Human [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959] There should be some charts here, you may need to enable JavaScript!
histone deacetylase 1/Histone deacetylase 1 in Human [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547] There should be some charts here, you may need to enable JavaScript!
histone deacetylase 2/Histone deacetylase 2 in Human [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769] There should be some charts here, you may need to enable JavaScript!
histone deacetylase 6/Histone deacetylase 6 in Human [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] There should be some charts here, you may need to enable JavaScript!
hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Human [ChEMBL: CHEMBL402] [GtoPdb: 639] [UniProtKB: P04035] hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Mouse [ChEMBL: CHEMBL2764] [GtoPdb: 639] [UniProtKB: Q01237] hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Rat [ChEMBL: CHEMBL3247] [GtoPdb: 639] [UniProtKB: P51639] There should be some charts here, you may need to enable JavaScript!
integrin, beta 2 subunit (complement component 3 receptor 3 and 4 subunit)/integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide)/Integrin alpha-L/beta-2 (LFA-1) in Human [ChEMBL: CHEMBL2364172] [GtoPdb: 2456, 2451] [UniProtKB: P05107, P20701] There should be some charts here, you may need to enable JavaScript!
integrin, beta 2 subunit (complement component 3 receptor 3 and 4 subunit)/integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide)/Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 in Human [ChEMBL: CHEMBL2096661] [GtoPdb: 2456, 2451] [UniProtKB: P05107, P05362, P20701] There should be some charts here, you may need to enable JavaScript!
integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide)/Leukocyte adhesion glycoprotein LFA-1 alpha in Human [ChEMBL: CHEMBL1803] [GtoPdb: 2451] [UniProtKB: P20701] There should be some charts here, you may need to enable JavaScript!
NK2 receptor/Neurokinin 2 receptor in Human [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452] There should be some charts here, you may need to enable JavaScript!
NET/Norepinephrine transporter in Human [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975] There should be some charts here, you may need to enable JavaScript!
ABCB1/P-glycoprotein 1 in Human [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] There should be some charts here, you may need to enable JavaScript!
OATP1B1/Solute carrier organic anion transporter family member 1B1 in Human [ChEMBL: CHEMBL1697668] [GtoPdb: 1220] [UniProtKB: Q9Y6L6] There should be some charts here, you may need to enable JavaScript!
Pregnane X receptor in Human [GtoPdb: 606] [UniProtKB: O75469] There should be some charts here, you may need to enable JavaScript!

DB	Assay description	Assay Type	Standard value	Standard parameter	Original value	Original units	Original parameter	Reference
Acetylcholinesterase in Electrophorus electricus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4078] [UniProtKB: O42275]
ChEMBL	Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method	B	5.57	pKi	2700	nM	Ki	Med Chem Res (2005) 14: 297-308
Acyl-CoA:cholesterol acyltransferase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6141] [UniProtKB: Q95214]
ChEMBL	Inhibition of ACAT in Albino rabbit intestinal mucosa	B	4.77	pIC50	16800	nM	IC50	Bioorg Med Chem Lett (2007) 17: 1946-1950 [PMID:17275297]
A1 receptor/Adenosine A1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
ChEMBL	DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)	B	4.81	pKi	15586	nM	Ki	DrugMatrix in vitro pharmacology data
ChEMBL	DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)	B	4.57	pIC50	26720	nM	IC50	DrugMatrix in vitro pharmacology data
Androgen receptor/Androgen Receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207]
ChEMBL	DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)	B	4.7	pKi	20110	nM	Ki	DrugMatrix in vitro pharmacology data
ChEMBL	DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)	B	4.52	pIC50	30164	nM	IC50	DrugMatrix in vitro pharmacology data
Cholinesterase in Equus caballus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5763] [UniProtKB: P81908]
ChEMBL	Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method	B	5.3	pKi	5011.87	nM	Ki	Med Chem Res (2005) 14: 297-308
ChEMBL	Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method	B	5.96	pKi	1100	nM	Ki	Med Chem Res (2005) 14: 297-308
DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959]
ChEMBL	DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)	B	5.1	pKi	8028	nM	Ki	DrugMatrix in vitro pharmacology data
ChEMBL	DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)	B	5	pIC50	10104	nM	IC50	DrugMatrix in vitro pharmacology data
histone deacetylase 1/Histone deacetylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547]
ChEMBL	Inhibition of recombinant HDAC1 (unknown origin) after 10 mins by fluorimetric analysis	B	4.92	pIC50	11911	nM	IC50	J Med Chem (2013) 56: 3645-3655 [PMID:23570542]
ChEMBL	Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer's instructions. Briefly, recombinant proteins of HDAC1 or HDAC6 were incubated with test compounds, and HDAC reaction was initiated by addition of Fluor-de-Lys substrate. Samples were incubated for 10 min at room temperature, followed by adding developer to stop the reaction. Fluorescence was measured by fluorometric reader with excitation at 360 nm and emission at 460 nm. The HDAC activity was expressed as arbitrary fluorescence units (AFU).	B	4.92	pIC50	11911	nM	IC50	US-9115116-B2. Dual action inhibitors against histone deacetylases and 3-hydroxy-3-methylglutaryl coenzyme a reductase (2015)
ChEMBL	Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer's instructions. Briefly, recombinant proteins of HDAC1 or HDAC6 were incubated with test compounds, and HDAC reaction was initiated by addition of Fluor-de-Lys substrate. Samples were incubated for 10 min at room temperature, followed by adding developer to stop the reaction. Fluorescence was measured by fluorometric reader with excitation at 360 nm and emission at 460 nm. The HDAC activity was expressed as arbitrary fluorescence units (AFU).	B	4.95	pIC50	11214	nM	IC50	US-9353061-B2. 3,5,N-trihydroxy-alkanamide and derivatives: method for making same and use thereof (2016)
histone deacetylase 2/Histone deacetylase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769]
ChEMBL	Inhibition of recombinant HDAC2 (unknown origin) after 10 mins by fluorimetric analysis	B	4.59	pIC50	25933	nM	IC50	J Med Chem (2013) 56: 3645-3655 [PMID:23570542]
ChEMBL	Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer's instructions. Briefly, recombinant proteins of HDAC1 or HDAC6 were incubated with test compounds, and HDAC reaction was initiated by addition of Fluor-de-Lys substrate. Samples were incubated for 10 min at room temperature, followed by adding developer to stop the reaction. Fluorescence was measured by fluorometric reader with excitation at 360 nm and emission at 460 nm. The HDAC activity was expressed as arbitrary fluorescence units (AFU).	B	4.59	pIC50	25933	nM	IC50	US-9115116-B2. Dual action inhibitors against histone deacetylases and 3-hydroxy-3-methylglutaryl coenzyme a reductase (2015)
ChEMBL	Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer's instructions. Briefly, recombinant proteins of HDAC1 or HDAC6 were incubated with test compounds, and HDAC reaction was initiated by addition of Fluor-de-Lys substrate. Samples were incubated for 10 min at room temperature, followed by adding developer to stop the reaction. Fluorescence was measured by fluorometric reader with excitation at 360 nm and emission at 460 nm. The HDAC activity was expressed as arbitrary fluorescence units (AFU).	B	4.59	pIC50	25933	nM	IC50	US-9353061-B2. 3,5,N-trihydroxy-alkanamide and derivatives: method for making same and use thereof (2016)
histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7]
ChEMBL	Inhibition of recombinant HDAC6 (unknown origin) after 10 mins by fluorimetric analysis	B	4.79	pIC50	16285	nM	IC50	J Med Chem (2013) 56: 3645-3655 [PMID:23570542]
ChEMBL	Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer's instructions. Briefly, recombinant proteins of HDAC1 or HDAC6 were incubated with test compounds, and HDAC reaction was initiated by addition of Fluor-de-Lys substrate. Samples were incubated for 10 min at room temperature, followed by adding developer to stop the reaction. Fluorescence was measured by fluorometric reader with excitation at 360 nm and emission at 460 nm. The HDAC activity was expressed as arbitrary fluorescence units (AFU).	B	4.79	pIC50	16285	nM	IC50	US-9115116-B2. Dual action inhibitors against histone deacetylases and 3-hydroxy-3-methylglutaryl coenzyme a reductase (2015)
ChEMBL	Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer's instructions. Briefly, recombinant proteins of HDAC1 or HDAC6 were incubated with test compounds, and HDAC reaction was initiated by addition of Fluor-de-Lys substrate. Samples were incubated for 10 min at room temperature, followed by adding developer to stop the reaction. Fluorescence was measured by fluorometric reader with excitation at 360 nm and emission at 460 nm. The HDAC activity was expressed as arbitrary fluorescence units (AFU).	B	4.79	pIC50	16283	nM	IC50	US-9353061-B2. 3,5,N-trihydroxy-alkanamide and derivatives: method for making same and use thereof (2016)
hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL402] [GtoPdb: 639] [UniProtKB: P04035]
GtoPdb	Inhibition of HMG-CoA reductase	-	9.22	pKi	0.6	nM	Ki	Proc Natl Acad Sci USA (1980) 77: 3957-61 [PMID:6933445]
ChEMBL	Inhibition of human HMGCoA reductase	B	9.22	pKi	0.6	nM	Ki	J Nat Prod (1989) 52: 153-161
ChEMBL	Inhibition of HMG-CoA reductase using HMG-CoA as substrate by spectrophotometry in presence of NADPH	B	4.7	pIC50	20100	nM	IC50	Eur J Med Chem (2011) 46: 5206-5211 [PMID:21872367]
ChEMBL	Inhibition of HMG-CoA reductase in human A549 cells after 5 mins by spectrophotometric analysis	B	4.7	pIC50	19800	nM	IC50	J Med Chem (2013) 56: 3645-3655 [PMID:23570542]
GtoPdb	in vitro inhibition of HMG-CoA reductase	-	7.3	pIC50	50	nM	IC50	J Med Chem (1990) 33: 61-70 [PMID:2153213]
ChEMBL	Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells.	F	7.3	pIC50	50	nM	IC50	J Med Chem (1991) 34: 2962-2983 [PMID:1656041]
ChEMBL	Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]acetate into cholesterol.	B	7.3	pIC50	50	nM	IC50	J Med Chem (1990) 33: 52-60 [PMID:2296036]
ChEMBL	Compound was evaluated for inhibitory activity against HMG-CoA reductase in HepG2 cells	B	7.41	pIC50	39	nM	IC50	Bioorg Med Chem Lett (1992) 2: 1085-1088
ChEMBL	Concentration required to inhibit HMG-CoA reductase by 50% was determined in Hep G2 cell line	F	7.43	pIC50	37	nM	IC50	J Med Chem (1992) 35: 3388-3393 [PMID:1527791]
ChEMBL	Reductase Activity Assay: The HMGR activity was performed using HMG-CoA reductase assay kit from Sigma-Aldrich with the human recombinant protein or 100 μg total cell lysates from A549 cells. Lovastatin was used as a positive control, and SAHA as a negative control. HMGR activity under defined assay conditions, containing NADPH and HMG-CoA substrate in a final volume of 0.2 mL of 100 mM potassium phosphatate buffer (120 mM KCI, 1 mM EDTA, 5 mM DTT, pH 7.4), were initiated in the presence or absence (control) of test compounds dissolved in dimethylsulfoxide (DMSO). The rates of NADPH consumption were monitored every 20 seconds, for up to 10 minutes, by spectrophotometer at 37° C. and 340 nm.	B	7.53	pIC50	29.5	nM	IC50	US-9115116-B2. Dual action inhibitors against histone deacetylases and 3-hydroxy-3-methylglutaryl coenzyme a reductase (2015)
ChEMBL	Reductase Activity Assay: The HMGR activity was performed using HMG-CoA reductase assay kit from Sigma-Aldrich with the human recombinant protein or 100 μg total cell lysates from A549 cells. Lovastatin was used as a positive control, and SAHA as a negative control. HMGR activity under defined assay conditions, containing NADPH and HMG-CoA substrate in a final volume of 0.2 mL of 100 mM potassium phosphatate buffer (120 mM KCl, 1 mM EDTA, 5 mM DTT, pH 7.4), were initiated in the presence or absence (control) of test compounds dissolved in dimethylsulfoxide (DMSO). The rates of NADPH consumption were monitored every 20 seconds, for up to 10 minutes, by spectrophotometer at 37° C. and 340 nm.	B	7.53	pIC50	29.5	nM	IC50	US-9353061-B2. 3,5,N-trihydroxy-alkanamide and derivatives: method for making same and use thereof (2016)
ChEMBL	Inhibition of recombinant HMG-CoA reductase (unknown origin) after 10 mins by spectrophotometric analysis	B	7.53	pIC50	29.5	nM	IC50	J Med Chem (2013) 56: 3645-3655 [PMID:23570542]
GtoPdb	in vitro inhition of HMG-CoA reductase	-	7.69	pIC50	20	nM	IC50	J Med Chem (1992) 35: 2095-103 [PMID:1597859]
ChEMBL	Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.	B	7.7	pIC50	20	nM	IC50	J Med Chem (1992) 35: 2095-2103 [PMID:1597859]
ChEMBL	DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA)	B	7.7	pIC50	20	nM	IC50	DrugMatrix in vitro pharmacology data
ChEMBL	Inhibition of HMG-CoA reductase (unknown origin) using [14C]-HMG-CoA as substrate after 5 mins in presence of NADPH	B	8.66	pIC50	2.2	nM	IC50	J Med Chem (2018) 61: 2166-2210 [PMID:28850227]
ChEMBL	Inhibition of human HMGCoA reductase	B	8.7	pIC50	2	nM	IC50	J Nat Prod (1989) 52: 153-161
ChEMBL	Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)	B	10.3	pIC50	0.05	nM	IC50	J Med Chem (1990) 33: 61-70 [PMID:2153213]
hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2764] [GtoPdb: 639] [UniProtKB: Q01237]
ChEMBL	In vitro inhibitory activity against isolated enzyme HMG-CoA reductase	B	7.57	pIC50	27	nM	IC50	Bioorg Med Chem Lett (1992) 2: 1085-1088
GtoPdb	In vitro inhibition of HMG-CoA reductase	-	7.57	pIC50	27	nM	IC50	Bioorg Med Chem Lett (1992) 2: 223-228
hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3247] [GtoPdb: 639] [UniProtKB: P51639]
ChEMBL	Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation	B	6.28	pIC50	530	nM	IC50	Bioorg Med Chem Lett (1997) 7: 549-554
GtoPdb	in vitro inhition of HMG-CoA reductase	-	6.3	pIC50	530	nM	IC50	Bioorg Med Chem Lett (1997) 7: 549-554
ChEMBL	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.23-0.71	B	6.4	pIC50	400	nM	IC50	J Med Chem (1993) 36: 3674-3685 [PMID:8246237]
GtoPdb	in vitro inhition of HMG-CoA reductase	-	6.8	pIC50	160	nM	IC50	Bioorg Med Chem Lett (1997) 7: 549-554
ChEMBL	In vitro inhibitory activity was measured against rat liver HMG-CoA reductase using [2-14C]-acetate incorporation	B	7.49	pIC50	32	nM	IC50	J Med Chem (1990) 33: 2982-2999 [PMID:2231596]
ChEMBL	Compound was evaluated for inhibitory activity against HMG-CoA reductase from rat hepatocyte	B	7.49	pIC50	32	nM	IC50	Bioorg Med Chem Lett (1992) 2: 1085-1088
GtoPdb	in vitro inhition of HMG-CoA reductase	-	7.55	pIC50	27	nM	IC50	J Med Chem (1991) 34: 367-73 [PMID:1992138]
ChEMBL	Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.	B	7.55	pIC50	28	nM	IC50	J Med Chem (1991) 34: 367-373 [PMID:1992138]
ChEMBL	In vitro inhibitory activity was measured against rat liver HMG-CoA reductase	B	7.57	pIC50	27	nM	IC50	J Med Chem (1990) 33: 2982-2999 [PMID:2231596]
ChEMBL	Inhibition of microsomal rat liver HMG-CoA reductase	B	7.96	pIC50	11	nM	IC50	Bioorg Med Chem Lett (1992) 2: 223-228
GtoPdb	in vitro inhibition of HMG-CoA reductase	-	7.96	pIC50	11	nM	IC50	Bioorg Med Chem Lett (1992) 2: 223-228
ChEMBL	In vitro inhibition of HMG-CoA reductase in solubilized rat liver.	B	8.1	pIC50	8	nM	IC50	J Med Chem (1991) 34: 2962-2983 [PMID:1656041]
ChEMBL	In vitro inhibition of HMG-CoA reductase of rat liver	B	8.1	pIC50	8	nM	IC50	J Med Chem (1990) 33: 61-70 [PMID:2153213]
ChEMBL	In vitro inhibition of rat liver HMG-CoA reductase	B	8.1	pIC50	8	nM	IC50	J Med Chem (1990) 33: 52-60 [PMID:2296036]
GtoPdb	in vitro inhibition of HMG-CoA reductase	-	8.1	pIC50	8	nM	IC50	J Med Chem (1991) 34: 2962-83 [PMID:1656041]
GtoPdb	in vitro inhibition of HMG-CoA reductase	-	8.1	pIC50	8	nM	IC50	J Med Chem (1990) 33: 61-70 [PMID:2153213]
ChEMBL	Tested for inhibition of rat liver microsomal HMG-CoA reductase	B	8.15	pIC50	7	nM	IC50	J Med Chem (1994) 37: 3240-3246 [PMID:7932551]
GtoPdb	in vitro inhition of HMG-CoA reductase	-	8.52	pIC50	3	nM	IC50	J Med Chem (1993) 36: 3658-62 [PMID:8246234]
ChEMBL	Inhibition of rat liver microsomal HMG-CoA reductase	B	8.52	pIC50	3	nM	IC50	J Med Chem (1993) 36: 3658-3662 [PMID:8246234]
integrin, beta 2 subunit (complement component 3 receptor 3 and 4 subunit)/integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide)/Integrin alpha-L/beta-2 (LFA-1) in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2364172] [GtoPdb: 2456, 2451] [UniProtKB: P05107, P20701]
ChEMBL	Inhibition of human integrin alphaL beta2 assessed as reduction in integrin alphaL beta2/ICAM1 protein-protein interaction by ELISA	B	5.62	pIC50	2400	nM	IC50	J Med Chem (2020) 63: 5675-5696 [PMID:31999923]
integrin, beta 2 subunit (complement component 3 receptor 3 and 4 subunit)/integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide)/Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2096661] [GtoPdb: 2456, 2451] [UniProtKB: P05107, P05362, P20701]
ChEMBL	In vitro inhibition of recombinant ICAM-1 binding to purified immobilized LFA-1 using cell-free assay	F	5.42	pIC50	3780	nM	IC50	Bioorg Med Chem Lett (2004) 14: 2483-2487 [PMID:15109637]
integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide)/Leukocyte adhesion glycoprotein LFA-1 alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1803] [GtoPdb: 2451] [UniProtKB: P20701]
ChEMBL	Binding affinity to I-domain of human integrin alphaL (amino acid residues 128 to 307) plus initial methionine expressed in Escherichia coli by NMR spectroscopy	B	4.89	pKd	12900	nM	Kd	J Med Chem (2013) 56: 735-747 [PMID:23339734]
NK2 receptor/Neurokinin 2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452]
ChEMBL	DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)	B	5.03	pKi	9408	nM	Ki	DrugMatrix in vitro pharmacology data
ChEMBL	DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)	B	4.55	pIC50	28224	nM	IC50	DrugMatrix in vitro pharmacology data
NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
ChEMBL	DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)	B	5.06	pKi	8680	nM	Ki	DrugMatrix in vitro pharmacology data
ChEMBL	DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)	B	5.06	pIC50	8753	nM	IC50	DrugMatrix in vitro pharmacology data
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183]
ChEMBL	TP_TRANSPORTER: inhibition of Rhodamine 123 transport in 3T3-G185 cells	F	4.17	pIC50	67000	nM	IC50	Pharm Res (2001) 18: 800-806 [PMID:11474784]
ChEMBL	TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cells	F	4.49	pIC50	32700	nM	IC50	Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514]
ChEMBL	TP_TRANSPORTER: inhibition of Daunorubicin transport in 3T3-G185 cells	F	4.59	pIC50	26000	nM	IC50	Pharm Res (2001) 18: 800-806 [PMID:11474784]
ChEMBL	TP_TRANSPORTER: inhibition of calcein-AM efflux in MDR1-expressing MDCK cells	F	5	pIC50	10000	nM	IC50	Drug Metab Dispos (2005) 33: 537-546 [PMID:15616150]
OATP1B1/Solute carrier organic anion transporter family member 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1697668] [GtoPdb: 1220] [UniProtKB: Q9Y6L6]
ChEMBL	TP_TRANSPORTER: inhibition of estradiol-17beta-glucuronide uptake(estradiol-17beta-glucuronide:0.02uM) in OATP1B1-expressing HEK293 cells	F	4.55	pIC50	28000	nM	IC50	Drug Metab Dispos (2005) 33: 537-546 [PMID:15616150]
Pregnane X receptor in Human [GtoPdb: 606] [UniProtKB: O75469]
GtoPdb	-	-	6	pEC50	1000	nM	EC50	J Clin Invest (1998) 102: 1016-23 [PMID:9727070]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]