ChEMBL ligand: CHEMBL269277 (ALS-357, .beta.-betulinic acid, Betulic acid, Betulinic acid, Lupatic acid, Mairin, NSC-113090, NSC-677578)
Ecto-5'-Nucleotidase/5`-nucleotidase in Human [ChEMBL: CHEMBL5957] [GtoPdb: 1232] [UniProtKB: P21589] Ecto-5'-Nucleotidase/5`-nucleotidase in Mouse [ChEMBL: CHEMBL4680034] [GtoPdb: 1232] [UniProtKB: Q61503] There should be some charts here, you may need to enable JavaScript!
aldo-keto reductase family 1 member B/Aldo-keto reductase family 1 member B1 in Human [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121] There should be some charts here, you may need to enable JavaScript!
Aldo-keto reductase family 1 member B10 in Human [ChEMBL: CHEMBL5983] [UniProtKB: O60218] There should be some charts here, you may need to enable JavaScript!
Botulinum neurotoxin type A in Clostridium botulinum [ChEMBL: CHEMBL5192] [UniProtKB: P0DPI0] There should be some charts here, you may need to enable JavaScript!
dipeptidyl peptidase 4/Dipeptidyl peptidase 4 in Human [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487] There should be some charts here, you may need to enable JavaScript!
DNA polymerase beta in Human [ChEMBL: CHEMBL2392] [GtoPdb: 3231] [UniProtKB: P06746] DNA polymerase beta in Rat [ChEMBL: CHEMBL4343] [GtoPdb: 3231] [UniProtKB: P06766] There should be some charts here, you may need to enable JavaScript!
Glycogen phosphorylase, muscle form in Rabbit [ChEMBL: CHEMBL4696] [UniProtKB: P00489] There should be some charts here, you may need to enable JavaScript!
GP41 in Human immunodeficiency virus 1 [ChEMBL: CHEMBL3559676] [UniProtKB: Q76270] There should be some charts here, you may need to enable JavaScript!
GPBA receptor/G-protein coupled bile acid receptor 1 in Human [ChEMBL: CHEMBL5409] [GtoPdb: 37] [UniProtKB: Q8TDU6] There should be some charts here, you may need to enable JavaScript!
Nonstructural protein 5 in Dengue virus [ChEMBL: CHEMBL4295629] [UniProtKB: V5TFZ2] There should be some charts here, you may need to enable JavaScript!
RAR-related orphan receptor-γ/Nuclear receptor ROR-gamma in Human [ChEMBL: CHEMBL1741186] [GtoPdb: 600] [UniProtKB: P51449] There should be some charts here, you may need to enable JavaScript!
Liver X receptor-α/Oxysterols receptor LXR-alpha in Human [ChEMBL: CHEMBL2808] [GtoPdb: 602] [UniProtKB: Q13133] There should be some charts here, you may need to enable JavaScript!
Liver X receptor-β/Oxysterols receptor LXR-beta in Human [ChEMBL: CHEMBL4093] [GtoPdb: 601] [UniProtKB: P55055] There should be some charts here, you may need to enable JavaScript!
Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Mouse [ChEMBL: CHEMBL2459] [GtoPdb: 595] [UniProtKB: P37238] There should be some charts here, you may need to enable JavaScript!
Plasmodium falciparum [ChEMBL: CHEMBL364] There should be some charts here, you may need to enable JavaScript!
CoV 3C-like (main) protease/CoV Replicase polyprotein 1a/Replicase polyprotein 1a in Severe acute respiratory syndrome-related coronavirus [ChEMBL: CHEMBL3927] [GtoPdb: 3111, 3124] [UniProtKB: P0C6U8] There should be some charts here, you may need to enable JavaScript!
CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1] There should be some charts here, you may need to enable JavaScript!
RELA proto-oncogene, NF-kB subunit/Transcription factor p65 in Human [ChEMBL: CHEMBL5533] [GtoPdb: 3280] [UniProtKB: Q04206] There should be some charts here, you may need to enable JavaScript!
protein tyrosine phosphatase non-receptor type 1/Tyrosine-protein phosphatase non-receptor type 1 in Human [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031] There should be some charts here, you may need to enable JavaScript!
Zinc finger protein GLI1 in Human [ChEMBL: CHEMBL5461] [UniProtKB: P08151] 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
Ecto-5'-Nucleotidase/5`-nucleotidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5957] [GtoPdb: 1232] [UniProtKB: P21589]
ChEMBL	Binding affinity to CD73 (unknown origin) assessed as inhibition constant	B	5.11	pKi	7800	nM	Ki	Eur J Med Chem (2023) 258: 115546-115546 [PMID:37302340]
ChEMBL	Inhibition of human CD73 assessed as reduction in inorganic phosphate release upon substrate hydrolysis using AMP/ATP as substrate incubated for 1 hr followed by substrate addition and measured after 2 hrs by malachite green reagent based colorimetric assay	B	5.14	pIC50	7280	nM	IC50	Bioorg Med Chem (2022) 59: 116672-116672 [PMID:35217359]
ChEMBL	Inhibition of CD73 (unknown origin)	B	5.14	pIC50	7280	nM	IC50	Eur J Med Chem (2023) 258: 115546-115546 [PMID:37302340]
Ecto-5'-Nucleotidase/5`-nucleotidase in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4680034] [GtoPdb: 1232] [UniProtKB: Q61503]
ChEMBL	Inhibition of mouse CD73 assessed as reduction in inorganic phosphate release upon substrate hydrolysis using AMP/ATP as substrate incubated for 1 hr followed by substrate addition and measured after 2 hrs by malachite green reagent based colorimetric assay	B	4.16	pIC50	68790	nM	IC50	Bioorg Med Chem (2022) 59: 116672-116672 [PMID:35217359]
aldo-keto reductase family 1 member B/Aldo-keto reductase family 1 member B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
ChEMBL	Inhibition of reductase activity of N-terminal 6His-tagged human recombinant AKR1B1 expressed in Escherichia coli BL21(DE3) assessed as assessed as pyridine-3-aldehyde reduction	B	4.96	pIC50	11000	nM	IC50	J Nat Prod (2011) 74: 1201-1206 [PMID:21561086]
Aldo-keto reductase family 1 member B10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5983] [UniProtKB: O60218]
ChEMBL	Inhibition of reductase activity of N-terminal 6His-tagged human AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde reduction	B	5.7	pIC50	2000	nM	IC50	J Nat Prod (2011) 74: 1201-1206 [PMID:21561086]
Botulinum neurotoxin type A in Clostridium botulinum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5192] [UniProtKB: P0DPI0]
ChEMBL	Inhibition of Clostridium BoNT/A protease light chain	B	4.84	pKi	14300	nM	Ki	Bioorg Med Chem Lett (2011) 21: 2229-2231 [PMID:21421315]
ChEMBL	Inhibition of Clostridium BoNT/A protease light chain	B	4.7	pIC50	20000	nM	IC50	Bioorg Med Chem Lett (2011) 21: 2229-2231 [PMID:21421315]
dipeptidyl peptidase 4/Dipeptidyl peptidase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487]
ChEMBL	Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay	B	4.25	pIC50	55820	nM	IC50	Medchemcomm (2011) 2: 471-477
DNA polymerase beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2392] [GtoPdb: 3231] [UniProtKB: P06746]
ChEMBL	Inhibition of polymerase activity of DNA polymerase beta	B	4.33	pIC50	46250	nM	IC50	Bioorg Med Chem (2008) 16: 4331-4340 [PMID:18343122]
ChEMBL	Inhibition of DNA polymerase beta lyase activity by deoxyribose phosphate excision assay	B	4.36	pIC50	43600	nM	IC50	J Nat Prod (2003) 66: 1463-1465 [PMID:14640519]
ChEMBL	Inhibition of lyase activity of DNA polymerase beta	B	4.47	pIC50	33700	nM	IC50	Bioorg Med Chem (2008) 16: 4331-4340 [PMID:18343122]
DNA polymerase beta in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4343] [GtoPdb: 3231] [UniProtKB: P06766]
ChEMBL	Inhibition of rat DNA polymerase beta in presence of 0.1 mg/mL BSA	B	4.85	pIC50	14000	nM	IC50	J Nat Prod (1999) 62: 1660-1663 [PMID:10654414]
ChEMBL	Inhibition of rat DNA polymerase beta in absence of BSA	B	5.19	pIC50	6500	nM	IC50	J Nat Prod (1999) 62: 1660-1663 [PMID:10654414]
Glycogen phosphorylase, muscle form in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4696] [UniProtKB: P00489]
ChEMBL	Inhibition of rabbit muscle glycogen phosphorylase A assessed as phosphate release from glucose-1-phosphate	B	4.37	pIC50	43000	nM	IC50	J Med Chem (2008) 51: 3540-3554 [PMID:18517260]
ChEMBL	Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins by microplate reader based method	B	4.37	pIC50	43000	nM	IC50	Eur J Med Chem (2011) 46: 2011-2021 [PMID:21439694]
ChEMBL	Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins by microplate reader based method	B	4.37	pIC50	42657.95	nM	IC50	Eur J Med Chem (2011) 46: 2011-2021 [PMID:21439694]
GP41 in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3559676] [UniProtKB: Q76270]
ChEMBL	Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells after 6 to 8 hrs by luciferase assay	B	4	pEC50	>100000	nM	EC50	J Med Chem (2014) 57: 7342-7354 [PMID:25156906]
GPBA receptor/G-protein coupled bile acid receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5409] [GtoPdb: 37] [UniProtKB: Q8TDU6]
GtoPdb	-	-	5.98	pEC50	1040	nM	EC50	J Med Chem (2010) 53: 178-90 [PMID:19911773]
ChEMBL	Agonist activity at TGR5 expressed in CHO cells by CRE-driven luciferase reporter gene assay	F	5.98	pEC50	1040	nM	EC50	J Med Chem (2010) 53: 178-190 [PMID:19911773]
ChEMBL	Agonist activity at TGR5 (unknown origin) expressed in CHO cells assessed as activation of intracellular cAMP production by luciferase reporter gene assay	F	5.99	pEC50	1030	nM	EC50	Eur J Med Chem (2024) 271: 116462-116462 [PMID:38691888]
Nonstructural protein 5 in Dengue virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295629] [UniProtKB: V5TFZ2]
ChEMBL	Inhibition of dengue virus NS5 RNA dependent RNA polymerase	B	5.77	pIC50	1700	nM	IC50	Eur J Med Chem (2019) 176: 431-455 [PMID:31128447]
ChEMBL	Inhibition of DENV/NS5 RNA-dependent RNA polymerase	B	5.77	pIC50	1700	nM	IC50	Eur J Med Chem (2023) 256: 115416-115416 [PMID:37159959]
RAR-related orphan receptor-γ/Nuclear receptor ROR-gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1741186] [GtoPdb: 600] [UniProtKB: P51449]
ChEMBL	Binding affinity to ROR-gamma LBD (unknown origin) assessed as dissociation constant by ITC analysis	B	5.47	pKd	3390	nM	Kd	Eur J Med Chem (2023) 257: 115472-115472 [PMID:37236000]
ChEMBL	Binding affinity to CM5 chip-immobilized recombinant ROR-gamma LBD (unknown origin) assessed as dissociation constant by SPR analysis	B	5.57	pKd	2700	nM	Kd	Eur J Med Chem (2023) 257: 115472-115472 [PMID:37236000]
ChEMBL	Antagonist activity at ROR-gamma LBD (unknown origin) using biotinylated SRC1-2 as substrate preincubated for 60 mins followed by substrate addition measured after 30 mins by HTRF assay	B	5.66	pIC50	2200	nM	IC50	Eur J Med Chem (2023) 257: 115472-115472 [PMID:37236000]
Liver X receptor-α/Oxysterols receptor LXR-alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2808] [GtoPdb: 602] [UniProtKB: Q13133]
ChEMBL	Agonist activity at human recombinant LXRalpha expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRalpha ligand binding domain by HTRF assay	B	4.3	pEC50	>50000	nM	EC50	J Nat Prod (2005) 68: 1247-1252 [PMID:16124770]
Liver X receptor-β/Oxysterols receptor LXR-beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4093] [GtoPdb: 601] [UniProtKB: P55055]
ChEMBL	Agonist activity at human recombinant LXRbeta expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRbeta ligand binding domain by HTRF assay	B	4.3	pEC50	>50000	nM	EC50	J Nat Prod (2005) 68: 1247-1252 [PMID:16124770]
Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2459] [GtoPdb: 595] [UniProtKB: P37238]
ChEMBL	Agonist activity at mouse PPARgamma expressed in HEK293 cells co-expressing with Gal4 reporter vector after 24 hrs by dual-luciferase reporter assay	B	4	pEC50	>100000	nM	EC50	J Nat Prod (2014) 77: 1594-1600 [PMID:24955889]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL	Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 infected in human erythrocytes	F	4.89	pIC50	12780	nM	IC50	Bioorg Med Chem Lett (2018) 28: 265-272 [PMID:29326018]
ChEMBL	Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 rings after 48 hrs by FACS analysis	F	5.28	pIC50	5200	nM	IC50	J Nat Prod (2009) 72: 2130-2134 [PMID:19904919]
ChEMBL	Antiplasmodial activity against Plasmodium falciparum Dd2 incubated under low oxygen conditions after 72 hrs by SYBR green assay	F	5.46	pIC50	3440	nM	IC50	Bioorg Med Chem (2016) 24: 2544-2548 [PMID:27112454]
ChEMBL	Antimalarial activity against ring stage Plasmodium falciparum 3D7 infected in type A-positive human erythrocytes after 72 hrs by SYBR green 1 dye-based fluorescence assay	F	5.85	pEC50	1419	nM	EC50	Bioorg Med Chem (2019) 27: 110-115 [PMID:30503412]
CoV 3C-like (main) protease/CoV Replicase polyprotein 1a/Replicase polyprotein 1a in Severe acute respiratory syndrome-related coronavirus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3927] [GtoPdb: 3111, 3124] [UniProtKB: P0C6U8]
ChEMBL	Inhibition of SARS coronavirus 3CL protease	B	5.09	pKi	8200	nM	Ki	J Med Chem (2007) 50: 4087-4095 [PMID:17663539]
ChEMBL	Inhibition of SARS coronavirus 3CL protease	B	5	pIC50	10000	nM	IC50	J Med Chem (2007) 50: 4087-4095 [PMID:17663539]
CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1]
ChEMBL	Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition measured after 15 mins by FRET assay	B	5	pIC50	10000	nM	IC50	Eur J Med Chem (2023) 260: 115772-115772 [PMID:37659195]
RELA proto-oncogene, NF-kB subunit/Transcription factor p65 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5533] [GtoPdb: 3280] [UniProtKB: Q04206]
ChEMBL	Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA	B	5	pIC50	>10000	nM	IC50	Bioorg Med Chem (2018) 26: 4452-4460 [PMID:30057155]
protein tyrosine phosphatase non-receptor type 1/Tyrosine-protein phosphatase non-receptor type 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031]
ChEMBL	Inhibition of PTP1B (unknown origin)	B	5.82	pIC50	1500	nM	IC50	Bioorg Med Chem (2021) 44: 116295-116295 [PMID:34246920]
Zinc finger protein GLI1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5461] [UniProtKB: P08151]
ChEMBL	Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay	B	4.49	pIC50	32000	nM	IC50	Bioorg Med Chem (2008) 16: 9420-9424 [PMID:18842418]
ChEMBL	Inhibition of Gli1-mediated transcription expressed in human PANC1 cells	B	4.49	pIC50	32000	nM	IC50	J Med Chem (2009) 52: 3829-3845 [PMID:19309080]

ChEMBL data shown on this page come from version 36:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]