ChEMBL ligand: CHEMBL4297482 (Azd 5991, Azd-5991, Azd5991, AZD-5991, AZD5991)
BCL2 apoptosis regulator/Apoptosis regulator Bcl-2 in Human [ChEMBL: CHEMBL4860] [GtoPdb: 2844] [UniProtKB: P10415] There should be some charts here, you may need to enable JavaScript!
Bcl-2-like 1/Bcl-2-like protein 1 in Human [ChEMBL: CHEMBL4625] [GtoPdb: 2845] [UniProtKB: Q07817] There should be some charts here, you may need to enable JavaScript!
Bcl-2-like 2/Bcl-2-like protein 2 in Human [ChEMBL: CHEMBL4677] [GtoPdb: 2846] [UniProtKB: Q92843] There should be some charts here, you may need to enable JavaScript!
Bcl-2-related protein A1 in Human [ChEMBL: CHEMBL6044] [UniProtKB: Q16548] There should be some charts here, you may need to enable JavaScript!
MCL1 apoptosis regulator, BCL2 family member/Induced myeloid leukemia cell differentiation protein Mcl-1 in Human [ChEMBL: CHEMBL4361] [GtoPdb: 2847] [UniProtKB: Q07820] 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
BCL2 apoptosis regulator/Apoptosis regulator Bcl-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4860] [GtoPdb: 2844] [UniProtKB: P10415]
ChEMBL	Inhibition of Fluor 647-labeled Bim peptide C binding to human C-Terminal 6His-tagged Bcl-2 expressed in Escherichia coli incubated for 120 to 180 mins by lanthascreen TR-FRET assay	B	4.7	pIC50	20000	nM	IC50	J Med Chem (2021) 64: 10260-10285 [PMID:34228434]
ChEMBL	Inhibition of C-terminal His6-tagged Bcl-2 (1 to 212 residues) (unknown origin) expressed in Escherichia coli using biotin-labeled Bim peptide GGMRPEIWIANELRRIGDEFNA as substrate incubated for 120 to 180 mins by TR-FRET assay	B	7.7	pIC50	20	nM	IC50	Bioorg Med Chem Lett (2021) 32: 127717-127717 [PMID:33253879]
Bcl-2-like 1/Bcl-2-like protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4625] [GtoPdb: 2845] [UniProtKB: Q07817]
ChEMBL	Inhibition of Fluor 647-labeled Bim peptide C binding to human N-terminal GST-tagged Bcl-xL expressed in Escherichia coli incubated for 120 to 180 mins by lanthascreen TR-FRET assay	B	4.44	pIC50	36000	nM	IC50	J Med Chem (2021) 64: 10260-10285 [PMID:34228434]
ChEMBL	Inhibition of N-terminal GST-tagged Bcl-xL (1 to 209 residues) (unknown origin) expressed in Escherichia coli using fFluor 647-labeled BAK peptide GGGQVGRQLAIIGDDINR as substrate incubated for 120 to 180 mins by TR-FRET assay	B	7.44	pIC50	36	nM	IC50	Bioorg Med Chem Lett (2021) 32: 127717-127717 [PMID:33253879]
Bcl-2-like 2/Bcl-2-like protein 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4677] [GtoPdb: 2846] [UniProtKB: Q92843]
ChEMBL	Inhibition of N-terminal His6-tagged Bcl-w (1 to 171 residues) (unknown origin) expressed in Escherichia coli using biotin-labeled Bim peptide GGMRPEIWIANELRRIGDEFNA as substrate incubated for 120 to 180 mins by TR-FRET assay	B	7.7	pIC50	>20	nM	IC50	Bioorg Med Chem Lett (2021) 32: 127717-127717 [PMID:33253879]
Bcl-2-related protein A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6044] [UniProtKB: Q16548]
ChEMBL	Inhibition of N-terminal His6-tagged Bfl-1 (1 to 151 residues) (unknown origin) expressed in Escherichia coli using Fluor 647-labeled BAK peptide WIAQELRRIGDEFN as substrate incubated for 120 to 180 mins by TR-FRET assay	B	7.7	pIC50	>20	nM	IC50	Bioorg Med Chem Lett (2021) 32: 127717-127717 [PMID:33253879]
MCL1 apoptosis regulator, BCL2 family member/Induced myeloid leukemia cell differentiation protein Mcl-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4361] [GtoPdb: 2847] [UniProtKB: Q07820]
ChEMBL	Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins fluorescence polarization-based competitive binding assay	B	9	pKi	<1	nM	Ki	J Med Chem (2021) 64: 11330-11353 [PMID:34342996]
ChEMBL	Inhibition of N-terminal GST-tagged-Mcl1 (E171 to G327) (unknown origin) expressed in Escherichia coli using HyLite Fluor 647-labeled Bim peptide C as substrate incubated for 120 to 180 mins by TR-FRET assay	B	9.7	pKi	0.2	nM	Ki	J Med Chem (2020) 63: 928-943 [PMID:31580668]
ChEMBL	Inhibition of N-terminal GST-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli using fluor 647-labeled Bim peptide WIAQELRRIGDEFN as substrate incubated for 120 to 180 mins by TR-FRET assay	B	9.7	pKi	0.2	nM	Ki	Bioorg Med Chem Lett (2021) 32: 127717-127717 [PMID:33253879]
ChEMBL	Displacement of Fluor 647-labeled BIM peptide from N-terminal GST-tagged MCL-1 (unknown origin) assessed as inhibition constant incubated for 120 to 180 mins by TR-FRET assay	B	9.7	pKi	0.2	nM	Ki	ACS Med Chem Lett (2023) 14: 955-961 [PMID:37465311]
GtoPdb	-	-	9.7	pKi	0.2	nM	Ki	J Med Chem (2020) 63: 928-943 [PMID:31580668]
ChEMBL	Inhibition of N-terminal GST-tagged MCl-1 (unknown origin) expressed in Escherichia coli cells after 120 to 180 mins by TR-FRET-binding affinity assay	B	9.77	pKi	0.17	nM	Ki	Eur J Med Chem (2019) 177: 63-75 [PMID:31129454]
ChEMBL	Binding affinity to N-terminal GST-tagged human Mcl-1 expressed in Escherichia coli assessed as inhibition constant by TR-FRET analysis	B	9.77	pKi	0.17	nM	Ki	J Med Chem (2024) 67: 5963-5998 [PMID:38597264]
ChEMBL	Biochemical binding TR-FRET assay: The assay was constructed such that GST tagged Mcl-1 protein, was incubated with a Europium-labeled anti-GST antibody and a HyLite Fluor 647-labeled peptide corresponding to the BH3 domain of BIM. Compound IC50 values were assessed following a 10-point, half-log10 dilution schema starting at 100 μM or 10 μM compound concentration. Specifically, human Mcl-1 enzyme from Mcl-1 (E171-G327) was cloned into an overexpression vector, expressed as an N-terminal GST-tagged fusion protein in E. coli and subsequently purified via Glutathione Sepharose-affinity and size-exclusion chromatography. The assay was performed in 384-Well LV plates (Greiner cat #784075) and run in the presence and absence of the compound of interest. Each well of 12 μL assay mixture contained 10 mM Tris (pH 7.4), 1.0 mM DTT, 0.005% Tween-20, 150 mM NaCl, 10% DMSO, and 1.5 nM GST Mcl-1, 0.5 nM LanthaScreen Eu tagged GST antibody (Invitrogen Catalog # PV5594), 4.0 nM HyLite Fluor 647-labeled BIM peptide [C(Hilyte647 C2 Maleimide)-WIAQELRRIGDEFN (SEQ ID NO:1)]. Reactions were incubated at 24° C. for 90 min before reading on a Tecan M1000 spectrfluorometer with excitation at 340 nm and emission at 612 nm & 665 nm. Subsequently, ratio of fluorescent emission intensity at 665 nm to 612 nm was calculated for each reaction, and the dose-response of the ratio to testing compound concentration was fitted to a select fit model that will provide the best fit quality using automatic parameter to derive IC50 values for each testing compound.	B	7.17	pIC50	67	nM	IC50	US-10196404-B2. MCL-1 inhibitors and methods of use thereof (2019)
ChEMBL	Biochemical binding TR-FRET assay: The assay was constructed such that GST tagged Mcl-1 protein, was incubated with a Europium-labeled anti-GST antibody and a HyLite Fluor 647-labeled peptide corresponding to the BH3 domain of BIM. Compound IC50 values were assessed following a 10-point, half-log10 dilution schema starting at 100 μM or 10 μM compound concentration. Specifically, human Mcl-1 enzyme from Mcl-1 (E171-G327) was cloned into an overexpression vector, expressed as an N-terminal GST-tagged fusion protein in E. coli and subsequently purified via Glutathione Sepharose-affinity and size-exclusion chromatography. The assay was performed in 384-Well LV plates (Greiner cat #784075) and run in the presence and absence of the compound of interest. Each well of 12 μL assay mixture contained 10 mM Tris (pH 7.4), 1.0 mM DTT, 0.005% Tween-20, 150 mM NaCl, 10% DMSO, and 1.5 nM GST Mcl-1, 0.5 nM LanthaScreen Eu tagged GST antibody (Invitrogen Catalog #PV5594), 4.0 nM HyLite Fluor 647-labeled BIM peptide [C(Hilyte647 C2 Maleimide)-WIAQELRRIGDEFN (SEQ ID NO:1)]. Reactions were incubated at 24° C. for 90 min before reading on a Tecan M1000 spectrfluorometer with excitation at 340 nm and emission at 612 nm & 665 nm. Subsequently, ratio of fluorescent emission intensity at 665 nm to 612 nm was calculated for each reaction, and the dose-response of the ratio to testing compound concentration was fitted to a select fit model that will provide the best fit quality using automatic parameter to derive IC50 values for each testing compound. Table 9 provides the results from the TR-FRET Mcl1 binding assay.	B	7.17	pIC50	67	nM	IC50	US-11472816-B2. Mcl-1 inhibitors and methods of use thereof (2022)
ChEMBL	Biochemical binding TR-FRET assay: The assay was constructed such that GST tagged Mcl-1 protein, was incubated with a Europium-labeled anti-GST antibody and a HyLite Fluor 647-labeled peptide corresponding to the BH3 domain of BIM. Compound IC50 values were assessed following a 10-point, half-log10 dilution schema starting at 100 μM or 10 μM compound concentration. Specifically, human Mcl-1 enzyme from Mcl-1 (E171-G327) was cloned into an overexpression vector, expressed as an N-terminal GST-tagged fusion protein in E. coli and subsequently purified via Glutathione Sepharose-affinity and size-exclusion chromatography. The assay was performed in 384-Well LV plates (Greiner cat #784075) and run in the presence and absence of the compound of interest. Each well of 12 μL assay mixture contained 10 mM Tris (pH 7.4), 1.0 mM DTT, 0.005% Tween-20, 150 mM NaCl, 10% DMSO, and 1.5 nM GST Mcl-1, 0.5 nM LanthaScreen Eu tagged GST antibody (Invitrogen Catalog # PV5594), 4.0 nM HyLite Fluor 647-labeled BIM peptide [C(Hilyte647 C2 Maleimide)-WIAQELRRIGDEFN (SEQ ID NO:1)]. Reactions were incubated at 24° C. for 90 min before reading on a Tecan M1000 spectrfluorometer with excitation at 340 nm and emission at 612 nm & 665 nm. Subsequently, ratio of fluorescent emission intensity at 665 nm to 612 nm was calculated for each reaction, and the dose-response of the ratio to testing compound concentration was fitted to a select fit model that will provide the best fit quality using automatic parameter to derive IC50 values for each testing compound.	B	8.52	pIC50	<3	nM	IC50	US-10196404-B2. MCL-1 inhibitors and methods of use thereof (2019)
ChEMBL	Biochemical binding TR-FRET assay: The assay was constructed such that GST tagged Mcl-1 protein, was incubated with a Europium-labeled anti-GST antibody and a HyLite Fluor 647-labeled peptide corresponding to the BH3 domain of BIM. Compound IC50 values were assessed following a 10-point, half-log10 dilution schema starting at 100 μM or 10 μM compound concentration. Specifically, human Mcl-1 enzyme from Mcl-1 (E171-G327) was cloned into an overexpression vector, expressed as an N-terminal GST-tagged fusion protein in E. coli and subsequently purified via Glutathione Sepharose-affinity and size-exclusion chromatography. The assay was performed in 384-Well LV plates (Greiner cat #784075) and run in the presence and absence of the compound of interest. Each well of 12 μL assay mixture contained 10 mM Tris (pH 7.4), 1.0 mM DTT, 0.005% Tween-20, 150 mM NaCl, 10% DMSO, and 1.5 nM GST Mcl-1, 0.5 nM LanthaScreen Eu tagged GST antibody (Invitrogen Catalog # PV5594), 4.0 nM HyLite Fluor 647-labeled BIM peptide [C(Hilyte647 C2 Maleimide)-WIAQELRRIGDEFN (SEQ ID NO:1)]. Reactions were incubated at 24° C. for 90 min before reading on a Tecan M1000 spectrfluorometer with excitation at 340 nm and emission at 612 nm & 665 nm. Subsequently, ratio of fluorescent emission intensity at 665 nm to 612 nm was calculated for each reaction, and the dose-response of the ratio to testing compound concentration was fitted to a select fit model that will provide the best fit quality using automatic parameter to derive IC50 values for each testing compound.	B	8.52	pIC50	<3	nM	IC50	US-10196404-B2. MCL-1 inhibitors and methods of use thereof (2019)
ChEMBL	Biochemical binding TR-FRET assay: The assay was constructed such that GST tagged Mcl-1 protein, was incubated with a Europium-labeled anti-GST antibody and a HyLite Fluor 647-labeled peptide corresponding to the BH3 domain of BIM. Compound IC50 values were assessed following a 10-point, half-log10 dilution schema starting at 100 μM or 10 μM compound concentration. Specifically, human Mcl-1 enzyme from Mcl-1 (E171-G327) was cloned into an overexpression vector, expressed as an N-terminal GST-tagged fusion protein in E. coli and subsequently purified via Glutathione Sepharose-affinity and size-exclusion chromatography. The assay was performed in 384-Well LV plates (Greiner cat #784075) and run in the presence and absence of the compound of interest. Each well of 12 μL assay mixture contained 10 mM Tris (pH 7.4), 1.0 mM DTT, 0.005% Tween-20, 150 mM NaCl, 10% DMSO, and 1.5 nM GST Mcl-1, 0.5 nM LanthaScreen Eu tagged GST antibody (Invitrogen Catalog #PV5594), 4.0 nM HyLite Fluor 647-labeled BIM peptide [C(Hilyte647 C2 Maleimide)-WIAQELRRIGDEFN (SEQ ID NO:1)]. Reactions were incubated at 24° C. for 90 min before reading on a Tecan M1000 spectrfluorometer with excitation at 340 nm and emission at 612 nm & 665 nm. Subsequently, ratio of fluorescent emission intensity at 665 nm to 612 nm was calculated for each reaction, and the dose-response of the ratio to testing compound concentration was fitted to a select fit model that will provide the best fit quality using automatic parameter to derive IC50 values for each testing compound. Table 9 provides the results from the TR-FRET Mcl1 binding assay.	B	8.52	pIC50	<3	nM	IC50	US-11472816-B2. Mcl-1 inhibitors and methods of use thereof (2022)
ChEMBL	Biochemical binding TR-FRET assay: The assay was constructed such that GST tagged Mcl-1 protein, was incubated with a Europium-labeled anti-GST antibody and a HyLite Fluor 647-labeled peptide corresponding to the BH3 domain of BIM. Compound IC50 values were assessed following a 10-point, half-log10 dilution schema starting at 100 μM or 10 μM compound concentration. Specifically, human Mcl-1 enzyme from Mcl-1 (E171-G327) was cloned into an overexpression vector, expressed as an N-terminal GST-tagged fusion protein in E. coli and subsequently purified via Glutathione Sepharose-affinity and size-exclusion chromatography. The assay was performed in 384-Well LV plates (Greiner cat #784075) and run in the presence and absence of the compound of interest. Each well of 12 μL assay mixture contained 10 mM Tris (pH 7.4), 1.0 mM DTT, 0.005% Tween-20, 150 mM NaCl, 10% DMSO, and 1.5 nM GST Mcl-1, 0.5 nM LanthaScreen Eu tagged GST antibody (Invitrogen Catalog #PV5594), 4.0 nM HyLite Fluor 647-labeled BIM peptide [C(Hilyte647 C2 Maleimide)-WIAQELRRIGDEFN (SEQ ID NO:1)]. Reactions were incubated at 24° C. for 90 min before reading on a Tecan M1000 spectrfluorometer with excitation at 340 nm and emission at 612 nm & 665 nm. Subsequently, ratio of fluorescent emission intensity at 665 nm to 612 nm was calculated for each reaction, and the dose-response of the ratio to testing compound concentration was fitted to a select fit model that will provide the best fit quality using automatic parameter to derive IC50 values for each testing compound. Table 9 provides the results from the TR-FRET Mcl1 binding assay.	B	8.52	pIC50	<3	nM	IC50	US-11472816-B2. Mcl-1 inhibitors and methods of use thereof (2022)
ChEMBL	Inhibition of N-terminal GST-tagged human Mcl-1expressed in Escherichia coli by TR-FRET analysis	B	9.14	pIC50	0.72	nM	IC50	J Med Chem (2024) 67: 5963-5998 [PMID:38597264]
ChEMBL	Inhibition of N-terminal GST-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli using fluor 647-labeled Bim peptide WIAQELRRIGDEFN as substrate incubated for 120 to 180 mins by TR-FRET assay	B	9.15	pIC50	0.7	nM	IC50	Bioorg Med Chem Lett (2021) 32: 127717-127717 [PMID:33253879]
ChEMBL	Inhibition of Fluor 647-labeled Bim peptide C binding to human N-terminal GST-tagged-Mcl-1 expressed in Escherichia coli incubated for 120 to 180 mins by lanthascreen TR-FRET assay	B	9.15	pIC50	0.7	nM	IC50	J Med Chem (2021) 64: 10260-10285 [PMID:34228434]

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]