Compile Data Set for Download or QSAR

Found 966 hits with Last Name = 'geneste' and Initial = 'o'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519050 (CHEMBL4465591) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccc(OCC(=O)N2CCN(C)CC2)c(Cl)c1C |r,wU:10.10,(39.71,-17.53,;38.94,-16.19,;37.4,-16.19,;36.5,-17.44,;35.03,-16.97,;33.7,-17.75,;32.36,-16.98,;32.36,-15.43,;33.69,-14.66,;33.69,-13.12,;32.36,-12.35,;32.35,-10.81,;31.02,-10.05,;31.03,-8.5,;29.69,-7.74,;28.36,-8.51,;28.37,-10.06,;29.7,-10.82,;31.02,-13.13,;29.69,-12.36,;31.03,-14.66,;35.03,-15.42,;36.5,-14.95,;36.96,-13.48,;35.94,-12.35,;36.41,-10.89,;37.92,-10.56,;38.39,-9.09,;39.89,-8.77,;40.36,-7.3,;39.33,-6.16,;41.87,-6.98,;42.91,-8.13,;44.41,-7.81,;44.88,-6.34,;46.37,-5.94,;43.85,-5.2,;42.34,-5.52,;38.95,-11.7,;40.45,-11.37,;38.48,-13.17,;39.51,-14.31,)| Show InChI InChI=1S/C31H33ClN4O5S/c1-4-24-26(21-10-11-22(28(32)19(21)2)40-17-25(37)36-14-12-35(3)13-15-36)27-29(33-18-34-30(27)42-24)41-23(31(38)39)16-20-8-6-5-7-9-20/h5-11,18,23H,4,12-17H2,1-3H3,(H,38,39)/t23-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519039 (CHEMBL4450734) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cc(CN2CCN(C)CC2)c(O)c(Cl)c1C |r,wU:10.10,(17.24,-17.95,;16.47,-16.62,;14.93,-16.62,;14.03,-17.87,;12.57,-17.39,;11.23,-18.17,;9.89,-17.4,;9.89,-15.85,;11.23,-15.08,;11.23,-13.54,;9.89,-12.78,;9.89,-11.24,;8.56,-10.47,;8.56,-8.93,;7.23,-8.16,;5.89,-8.93,;5.9,-10.48,;7.24,-11.24,;8.56,-13.55,;7.23,-12.78,;8.56,-15.09,;12.57,-15.85,;14.03,-15.37,;14.5,-13.91,;13.47,-12.77,;13.94,-11.31,;12.91,-10.17,;13.38,-8.7,;14.89,-8.38,;15.36,-6.92,;14.33,-5.78,;14.81,-4.31,;12.83,-6.1,;12.35,-7.57,;15.45,-10.98,;15.92,-9.52,;16.48,-12.12,;17.99,-11.8,;16.01,-13.59,;17.05,-14.73,)| Show InChI InChI=1S/C30H33ClN4O4S/c1-4-23-24(21-15-20(27(36)26(31)18(21)2)16-35-12-10-34(3)11-13-35)25-28(32-17-33-29(25)40-23)39-22(30(37)38)14-19-8-6-5-7-9-19/h5-9,15,17,22,36H,4,10-14,16H2,1-3H3,(H,37,38)/t22-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519040 (CHEMBL4537357) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cc(N2CCN(C)CC2)c(O)c(Cl)c1C |r,wU:10.10,(62.82,-50.77,;62.05,-49.44,;60.51,-49.44,;59.61,-50.69,;58.14,-50.21,;56.81,-50.99,;55.47,-50.22,;55.47,-48.68,;56.81,-47.91,;56.8,-46.37,;55.47,-45.6,;55.47,-44.06,;54.13,-43.29,;54.14,-41.75,;52.8,-40.98,;51.47,-41.76,;51.48,-43.3,;52.81,-44.06,;54.14,-46.37,;52.8,-45.6,;54.14,-47.91,;58.14,-48.67,;59.61,-48.19,;60.08,-46.73,;59.05,-45.6,;59.52,-44.13,;58.48,-42.99,;58.96,-41.53,;57.93,-40.39,;56.42,-40.71,;55.39,-39.57,;55.95,-42.18,;56.98,-43.33,;61.03,-43.81,;61.5,-42.34,;62.06,-44.94,;63.57,-44.62,;61.59,-46.41,;62.62,-47.56,)| Show InChI InChI=1S/C29H31ClN4O4S/c1-4-22-23(19-15-20(26(35)25(30)17(19)2)34-12-10-33(3)11-13-34)24-27(31-16-32-28(24)39-22)38-21(29(36)37)14-18-8-6-5-7-9-18/h5-9,15-16,21,35H,4,10-14H2,1-3H3,(H,36,37)/t21-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519052 (CHEMBL4515048) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccc(O)c(Cl)c1C |r,wU:10.10,(19.06,-48.95,;18.29,-47.62,;16.75,-47.62,;15.85,-48.87,;14.39,-48.39,;13.05,-49.17,;11.71,-48.4,;11.71,-46.85,;13.05,-46.08,;13.05,-44.54,;11.71,-43.78,;11.71,-42.24,;10.38,-41.47,;10.38,-39.93,;9.05,-39.16,;7.71,-39.93,;7.72,-41.48,;9.06,-42.24,;10.38,-44.55,;9.05,-43.78,;10.38,-46.09,;14.39,-46.85,;15.85,-46.37,;16.32,-44.91,;15.29,-43.77,;15.76,-42.31,;17.27,-41.98,;17.74,-40.52,;18.3,-43.12,;19.81,-42.8,;17.84,-44.59,;18.87,-45.73,)| Show InChI InChI=1S/C24H21ClN2O4S/c1-3-18-19(15-9-10-16(28)21(25)13(15)2)20-22(26-12-27-23(20)32-18)31-17(24(29)30)11-14-7-5-4-6-8-14/h4-10,12,17,28H,3,11H2,1-2H3,(H,29,30)/t17-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519059 (CHEMBL4573959) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cc2cc(CN(C)C)oc2c(Cl)c1C |r,wU:10.10,(65.57,-17.15,;64.8,-15.82,;63.26,-15.82,;62.36,-17.06,;60.89,-16.59,;59.56,-17.37,;58.21,-16.6,;58.22,-15.05,;59.55,-14.28,;59.55,-12.74,;58.22,-11.97,;58.21,-10.43,;56.88,-9.67,;56.89,-8.13,;55.55,-7.36,;54.22,-8.13,;54.22,-9.68,;55.56,-10.44,;56.88,-12.75,;55.55,-11.98,;56.89,-14.29,;60.89,-15.05,;62.36,-14.57,;62.82,-13.1,;61.8,-11.97,;62.26,-10.51,;61.48,-9.17,;62.51,-8.01,;62.18,-6.51,;63.32,-5.47,;62.99,-3.97,;64.79,-5.94,;63.93,-8.64,;63.78,-10.18,;64.81,-11.32,;66.31,-10.99,;64.34,-12.79,;65.37,-13.93,)| Show InChI InChI=1S/C29H28ClN3O4S/c1-5-22-23(20-13-18-12-19(14-33(3)4)36-26(18)25(30)16(20)2)24-27(31-15-32-28(24)38-22)37-21(29(34)35)11-17-9-7-6-8-10-17/h6-10,12-13,15,21H,5,11,14H2,1-4H3,(H,34,35)/t21-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519023 (CHEMBL4437381) Show SMILES CCc1sc2ncnc(N[C@H](Cc3ccccc3OC)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(39.83,-31.86,;39.06,-30.53,;37.52,-30.53,;36.62,-31.78,;35.15,-31.3,;33.82,-32.08,;32.48,-31.31,;32.48,-29.76,;33.82,-28.99,;33.81,-27.45,;32.48,-26.69,;32.48,-25.15,;31.14,-24.38,;29.82,-25.15,;28.49,-24.39,;28.48,-22.84,;29.81,-22.07,;31.15,-22.84,;32.48,-22.07,;33.81,-22.84,;31.15,-27.46,;29.81,-26.69,;31.15,-29,;35.15,-29.76,;36.62,-29.28,;37.09,-27.82,;36.06,-26.68,;36.53,-25.22,;38.04,-24.89,;39.07,-26.03,;40.57,-25.71,;38.6,-27.5,;39.63,-28.64,)| Show InChI InChI=1S/C25H24ClN3O3S/c1-4-20-21(16-9-7-10-17(26)14(16)2)22-23(27-13-28-24(22)33-20)29-18(25(30)31)12-15-8-5-6-11-19(15)32-3/h5-11,13,18H,4,12H2,1-3H3,(H,30,31)(H,27,28,29)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519043 (CHEMBL4443008) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Br)c1C |r,wU:10.10,(17.07,-14.5,;16.3,-13.16,;14.76,-13.16,;13.86,-14.41,;12.4,-13.94,;11.06,-14.71,;9.72,-13.94,;9.72,-12.4,;11.06,-11.63,;11.06,-10.09,;9.72,-9.32,;9.72,-7.78,;8.38,-7.01,;8.39,-5.47,;7.06,-4.71,;5.72,-5.48,;5.73,-7.03,;7.07,-7.79,;8.39,-10.09,;7.06,-9.33,;8.39,-11.63,;12.4,-12.39,;13.86,-11.92,;14.33,-10.45,;13.3,-9.32,;13.77,-7.86,;15.28,-7.53,;16.31,-8.67,;17.82,-8.34,;15.84,-10.13,;16.88,-11.28,)| Show InChI InChI=1S/C24H21BrN2O3S/c1-3-19-20(16-10-7-11-17(25)14(16)2)21-22(26-13-27-23(21)31-19)30-18(24(28)29)12-15-8-5-4-6-9-15/h4-11,13,18H,3,12H2,1-2H3,(H,28,29)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519043 (CHEMBL4443008) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Br)c1C |r,wU:10.10,(17.07,-14.5,;16.3,-13.16,;14.76,-13.16,;13.86,-14.41,;12.4,-13.94,;11.06,-14.71,;9.72,-13.94,;9.72,-12.4,;11.06,-11.63,;11.06,-10.09,;9.72,-9.32,;9.72,-7.78,;8.38,-7.01,;8.39,-5.47,;7.06,-4.71,;5.72,-5.48,;5.73,-7.03,;7.07,-7.79,;8.39,-10.09,;7.06,-9.33,;8.39,-11.63,;12.4,-12.39,;13.86,-11.92,;14.33,-10.45,;13.3,-9.32,;13.77,-7.86,;15.28,-7.53,;16.31,-8.67,;17.82,-8.34,;15.84,-10.13,;16.88,-11.28,)| Show InChI InChI=1S/C24H21BrN2O3S/c1-3-19-20(16-10-7-11-17(25)14(16)2)21-22(26-13-27-23(21)31-19)30-18(24(28)29)12-15-8-5-4-6-9-15/h4-11,13,18H,3,12H2,1-2H3,(H,28,29)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519042 (CHEMBL4515659) Show SMILES CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(17.11,-30.89,;16.34,-29.56,;14.8,-29.56,;13.9,-30.8,;12.43,-30.33,;11.1,-31.11,;9.76,-30.34,;9.76,-28.79,;11.1,-28.02,;11.09,-26.48,;9.76,-25.71,;9.76,-24.17,;8.42,-23.41,;8.43,-21.86,;7.09,-21.1,;5.76,-21.87,;5.77,-23.42,;7.1,-24.18,;8.43,-26.49,;7.09,-25.72,;8.43,-28.03,;12.43,-28.79,;13.9,-28.31,;14.37,-26.84,;13.34,-25.71,;13.81,-24.25,;15.32,-23.92,;16.35,-25.06,;17.86,-24.73,;15.88,-26.53,;16.91,-27.67,)| Show InChI InChI=1S/C24H22ClN3O2S/c1-3-19-20(16-10-7-11-17(25)14(16)2)21-22(26-13-27-23(21)31-19)28-18(24(29)30)12-15-8-5-4-6-9-15/h4-11,13,18H,3,12H2,1-2H3,(H,29,30)(H,26,27,28)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519044 (CHEMBL4456457) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc2[nH]ccc12 |r,wU:10.10,(19.32,-30,;18.55,-28.66,;17.01,-28.66,;16.11,-29.91,;14.64,-29.44,;13.31,-30.21,;11.97,-29.44,;11.97,-27.9,;13.31,-27.13,;13.3,-25.59,;11.97,-24.82,;11.97,-23.28,;10.63,-22.51,;10.64,-20.97,;9.3,-20.21,;7.97,-20.98,;7.98,-22.53,;9.31,-23.29,;10.64,-25.59,;9.3,-24.83,;10.64,-27.13,;14.64,-27.89,;16.11,-27.42,;16.58,-25.95,;15.55,-24.82,;16.02,-23.36,;17.53,-23.03,;18.56,-24.17,;20.1,-24.16,;20.58,-25.62,;19.34,-26.54,;18.09,-25.63,)| Show InChI InChI=1S/C25H21N3O3S/c1-2-20-21(17-9-6-10-18-16(17)11-12-26-18)22-23(27-14-28-24(22)32-20)31-19(25(29)30)13-15-7-4-3-5-8-15/h3-12,14,19,26H,2,13H2,1H3,(H,29,30)/t19-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519044 (CHEMBL4456457) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc2[nH]ccc12 |r,wU:10.10,(19.32,-30,;18.55,-28.66,;17.01,-28.66,;16.11,-29.91,;14.64,-29.44,;13.31,-30.21,;11.97,-29.44,;11.97,-27.9,;13.31,-27.13,;13.3,-25.59,;11.97,-24.82,;11.97,-23.28,;10.63,-22.51,;10.64,-20.97,;9.3,-20.21,;7.97,-20.98,;7.98,-22.53,;9.31,-23.29,;10.64,-25.59,;9.3,-24.83,;10.64,-27.13,;14.64,-27.89,;16.11,-27.42,;16.58,-25.95,;15.55,-24.82,;16.02,-23.36,;17.53,-23.03,;18.56,-24.17,;20.1,-24.16,;20.58,-25.62,;19.34,-26.54,;18.09,-25.63,)| Show InChI InChI=1S/C25H21N3O3S/c1-2-20-21(17-9-6-10-18-16(17)11-12-26-18)22-23(27-14-28-24(22)32-20)31-19(25(29)30)13-15-7-4-3-5-8-15/h3-12,14,19,26H,2,13H2,1H3,(H,29,30)/t19-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519051 (CHEMBL4452148) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(57.1,-14.15,;56.33,-12.81,;54.79,-12.81,;53.89,-14.06,;52.42,-13.59,;51.09,-14.36,;49.75,-13.59,;49.75,-12.05,;51.08,-11.28,;51.08,-9.74,;49.75,-8.97,;49.74,-7.43,;48.41,-6.66,;48.42,-5.12,;47.08,-4.36,;45.75,-5.13,;45.76,-6.68,;47.09,-7.44,;48.41,-9.74,;47.08,-8.98,;48.42,-11.28,;52.42,-12.04,;53.89,-11.57,;54.35,-10.1,;53.33,-8.97,;53.8,-7.51,;55.31,-7.18,;56.34,-8.32,;57.84,-7.99,;55.87,-9.78,;56.9,-10.93,)| Show InChI InChI=1S/C24H21ClN2O3S/c1-3-19-20(16-10-7-11-17(25)14(16)2)21-22(26-13-27-23(21)31-19)30-18(24(28)29)12-15-8-5-4-6-9-15/h4-11,13,18H,3,12H2,1-2H3,(H,28,29)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519058 (CHEMBL4473708) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccccc1C |r,wU:10.10,(41.11,-47.36,;40.34,-46.02,;38.8,-46.03,;37.9,-47.27,;36.43,-46.8,;35.1,-47.58,;33.76,-46.81,;33.76,-45.26,;35.09,-44.49,;35.09,-42.95,;33.76,-42.18,;33.75,-40.64,;32.42,-39.88,;32.42,-38.33,;31.09,-37.57,;29.76,-38.34,;29.76,-39.89,;31.1,-40.65,;32.42,-42.96,;31.09,-42.19,;32.43,-44.5,;36.43,-45.25,;37.9,-44.78,;38.36,-43.31,;37.34,-42.18,;37.8,-40.72,;39.32,-40.39,;40.35,-41.53,;39.88,-43,;40.91,-44.14,)| Show InChI InChI=1S/C24H22N2O3S/c1-3-19-20(17-12-8-7-9-15(17)2)21-22(25-14-26-23(21)30-19)29-18(24(27)28)13-16-10-5-4-6-11-16/h4-12,14,18H,3,13H2,1-2H3,(H,27,28)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519058 (CHEMBL4473708) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccccc1C |r,wU:10.10,(41.11,-47.36,;40.34,-46.02,;38.8,-46.03,;37.9,-47.27,;36.43,-46.8,;35.1,-47.58,;33.76,-46.81,;33.76,-45.26,;35.09,-44.49,;35.09,-42.95,;33.76,-42.18,;33.75,-40.64,;32.42,-39.88,;32.42,-38.33,;31.09,-37.57,;29.76,-38.34,;29.76,-39.89,;31.1,-40.65,;32.42,-42.96,;31.09,-42.19,;32.43,-44.5,;36.43,-45.25,;37.9,-44.78,;38.36,-43.31,;37.34,-42.18,;37.8,-40.72,;39.32,-40.39,;40.35,-41.53,;39.88,-43,;40.91,-44.14,)| Show InChI InChI=1S/C24H22N2O3S/c1-3-19-20(17-12-8-7-9-15(17)2)21-22(25-14-26-23(21)30-19)29-18(24(27)28)13-16-10-5-4-6-11-16/h4-12,14,18H,3,13H2,1-2H3,(H,27,28)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50519047 (CHEMBL4521569) Show SMILES CCNS(=O)(=O)c1cccc(c1)-c1nc(N[C@H](C)C(O)=O)c2c(c(CC)sc2n1)-c1cccc(Oc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C31H29FN4O5S2/c1-4-25-26(19-8-6-10-23(16-19)41-22-14-12-21(32)13-15-22)27-29(34-18(3)31(37)38)35-28(36-30(27)42-25)20-9-7-11-24(17-20)43(39,40)33-5-2/h6-18,33H,4-5H2,1-3H3,(H,37,38)(H,34,35,36)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from human N-terminal thrombin cleavage site-fused/His6-tagged Bcl-2 expressed in Es...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519013 (CHEMBL4452383) Show SMILES CCc1sc2ncnc(N[C@H](Cc3ccccc3OCCN3CCN(C)CC3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(40.8,-50.74,;40.03,-49.41,;38.49,-49.41,;37.59,-50.66,;36.12,-50.18,;34.79,-50.96,;33.45,-50.19,;33.45,-48.64,;34.79,-47.87,;34.79,-46.33,;33.45,-45.57,;33.45,-44.03,;32.11,-43.26,;30.79,-44.03,;29.46,-43.27,;29.45,-41.72,;30.79,-40.95,;32.12,-41.72,;33.45,-40.95,;33.46,-39.41,;34.79,-38.64,;36.12,-39.41,;36.11,-40.95,;37.44,-41.72,;38.78,-40.96,;40.11,-41.73,;38.78,-39.41,;37.45,-38.63,;32.12,-46.34,;30.78,-45.57,;32.12,-47.88,;36.12,-48.64,;37.59,-48.16,;38.06,-46.7,;37.03,-45.56,;37.5,-44.1,;39.01,-43.77,;40.04,-44.91,;41.55,-44.59,;39.57,-46.38,;40.6,-47.52,)| Show InChI InChI=1S/C31H36ClN5O3S/c1-4-26-27(22-9-7-10-23(32)20(22)2)28-29(33-19-34-30(28)41-26)35-24(31(38)39)18-21-8-5-6-11-25(21)40-17-16-37-14-12-36(3)13-15-37/h5-11,19,24H,4,12-18H2,1-3H3,(H,38,39)(H,33,34,35)/t24-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519014 (CHEMBL4458675) Show SMILES CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccccc1C |r,wU:10.10,(60.95,-30.92,;60.18,-29.58,;58.64,-29.58,;57.74,-30.83,;56.27,-30.36,;54.94,-31.14,;53.6,-30.37,;53.6,-28.82,;54.94,-28.05,;54.94,-26.51,;53.6,-25.74,;53.6,-24.2,;52.26,-23.44,;52.27,-21.89,;50.93,-21.13,;49.6,-21.9,;49.61,-23.45,;50.94,-24.21,;52.27,-26.52,;50.93,-25.75,;52.27,-28.06,;56.27,-28.81,;57.74,-28.34,;58.21,-26.87,;57.18,-25.74,;57.65,-24.28,;59.16,-23.95,;60.19,-25.09,;59.72,-26.56,;60.75,-27.7,)| Show InChI InChI=1S/C24H23N3O2S/c1-3-19-20(17-12-8-7-9-15(17)2)21-22(25-14-26-23(21)30-19)27-18(24(28)29)13-16-10-5-4-6-11-16/h4-12,14,18H,3,13H2,1-2H3,(H,28,29)(H,25,26,27)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519014 (CHEMBL4458675) Show SMILES CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccccc1C |r,wU:10.10,(60.95,-30.92,;60.18,-29.58,;58.64,-29.58,;57.74,-30.83,;56.27,-30.36,;54.94,-31.14,;53.6,-30.37,;53.6,-28.82,;54.94,-28.05,;54.94,-26.51,;53.6,-25.74,;53.6,-24.2,;52.26,-23.44,;52.27,-21.89,;50.93,-21.13,;49.6,-21.9,;49.61,-23.45,;50.94,-24.21,;52.27,-26.52,;50.93,-25.75,;52.27,-28.06,;56.27,-28.81,;57.74,-28.34,;58.21,-26.87,;57.18,-25.74,;57.65,-24.28,;59.16,-23.95,;60.19,-25.09,;59.72,-26.56,;60.75,-27.7,)| Show InChI InChI=1S/C24H23N3O2S/c1-3-19-20(17-12-8-7-9-15(17)2)21-22(25-14-26-23(21)30-19)27-18(24(28)29)13-16-10-5-4-6-11-16/h4-12,14,18H,3,13H2,1-2H3,(H,28,29)(H,25,26,27)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519019 (CHEMBL4529278) Show SMILES CCc1sc2ncnc(O[C@H](C)C(O)=O)c2c1-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C19H17N3O3S/c1-3-14-15(12-4-5-13-11(8-12)6-7-20-13)16-17(25-10(2)19(23)24)21-9-22-18(16)26-14/h4-10,20H,3H2,1-2H3,(H,23,24)/t10-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50519037 (CHEMBL4472592) Show SMILES CCc1sc2nc(nc(N[C@H](C)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1)-c1cccnc1 |r| Show InChI InChI=1S/C28H23FN4O3S/c1-3-22-23(17-6-4-8-21(14-17)36-20-11-9-19(29)10-12-20)24-26(31-16(2)28(34)35)32-25(33-27(24)37-22)18-7-5-13-30-15-18/h4-16H,3H2,1-2H3,(H,34,35)(H,31,32,33)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from human N-terminal thrombin cleavage site-fused/His6-tagged Bcl-2 expressed in Es...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50519024 (CHEMBL4521112) Show SMILES CCc1sc2ncnc(N[C@H](C)C(O)=O)c2c1-c1cccc(O)c1 |r| Show InChI InChI=1S/C17H17N3O3S/c1-3-12-13(10-5-4-6-11(21)7-10)14-15(20-9(2)17(22)23)18-8-19-16(14)24-12/h4-9,21H,3H2,1-2H3,(H,22,23)(H,18,19,20)/t9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from human N-terminal thrombin cleavage site-fused/His6-tagged Bcl-2 expressed in Es...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50519041 (CHEMBL4464302) Show SMILES CC(=C)c1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:11.11,(62.48,-29.38,;61.71,-30.71,;62.48,-32.05,;60.17,-30.71,;59.28,-31.96,;57.81,-31.49,;56.48,-32.27,;55.13,-31.5,;55.14,-29.95,;56.47,-29.18,;56.47,-27.64,;55.13,-26.87,;55.13,-25.33,;53.8,-24.56,;53.8,-23.02,;52.47,-22.26,;51.14,-23.03,;51.14,-24.58,;52.48,-25.34,;53.8,-27.64,;52.47,-26.88,;53.8,-29.18,;57.81,-29.94,;59.27,-29.47,;59.74,-28,;58.71,-26.87,;59.18,-25.41,;60.69,-25.08,;61.73,-26.22,;63.23,-25.89,;61.26,-27.69,;62.29,-28.83,)| Show InChI InChI=1S/C25H22ClN3O2S/c1-14(2)22-20(17-10-7-11-18(26)15(17)3)21-23(27-13-28-24(21)32-22)29-19(25(30)31)12-16-8-5-4-6-9-16/h4-11,13,19H,1,12H2,2-3H3,(H,30,31)(H,27,28,29)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from human N-terminal thrombin cleavage site-fused/His6-tagged Bcl-2 expressed in Es...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519045 (CHEMBL4436725) Show SMILES CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc2[nH]ccc12 |r,wU:10.10,(36.48,-12.68,;35.71,-11.35,;34.17,-11.35,;33.27,-12.59,;31.8,-12.12,;30.47,-12.9,;29.13,-12.13,;29.13,-10.58,;30.47,-9.81,;30.47,-8.27,;29.13,-7.5,;29.13,-5.96,;27.79,-5.2,;27.8,-3.66,;26.47,-2.89,;25.13,-3.66,;25.14,-5.21,;26.47,-5.97,;27.8,-8.28,;26.46,-7.51,;27.8,-9.82,;31.8,-10.58,;33.27,-10.1,;33.74,-8.63,;32.71,-7.5,;33.18,-6.04,;34.69,-5.71,;35.72,-6.85,;37.26,-6.84,;37.75,-8.31,;36.5,-9.22,;35.25,-8.32,)| Show InChI InChI=1S/C25H22N4O2S/c1-2-20-21(17-9-6-10-18-16(17)11-12-26-18)22-23(27-14-28-24(22)32-20)29-19(25(30)31)13-15-7-4-3-5-8-15/h3-12,14,19,26H,2,13H2,1H3,(H,30,31)(H,27,28,29)/t19-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519045 (CHEMBL4436725) Show SMILES CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc2[nH]ccc12 |r,wU:10.10,(36.48,-12.68,;35.71,-11.35,;34.17,-11.35,;33.27,-12.59,;31.8,-12.12,;30.47,-12.9,;29.13,-12.13,;29.13,-10.58,;30.47,-9.81,;30.47,-8.27,;29.13,-7.5,;29.13,-5.96,;27.79,-5.2,;27.8,-3.66,;26.47,-2.89,;25.13,-3.66,;25.14,-5.21,;26.47,-5.97,;27.8,-8.28,;26.46,-7.51,;27.8,-9.82,;31.8,-10.58,;33.27,-10.1,;33.74,-8.63,;32.71,-7.5,;33.18,-6.04,;34.69,-5.71,;35.72,-6.85,;37.26,-6.84,;37.75,-8.31,;36.5,-9.22,;35.25,-8.32,)| Show InChI InChI=1S/C25H22N4O2S/c1-2-20-21(17-9-6-10-18-16(17)11-12-26-18)22-23(27-14-28-24(22)32-20)29-19(25(30)31)13-15-7-4-3-5-8-15/h3-12,14,19,26H,2,13H2,1H3,(H,30,31)(H,27,28,29)/t19-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519026 (CHEMBL4445863) Show SMILES CCc1sc2ncnc(O[C@H](C)C(O)=O)c2c1-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H18N2O3S/c1-3-16-17(15-9-8-13-6-4-5-7-14(13)10-15)18-19(26-12(2)21(24)25)22-11-23-20(18)27-16/h4-12H,3H2,1-2H3,(H,24,25)/t12-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50519036 (CHEMBL4467044) Show SMILES CCc1sc2ncnc(N[C@H](C)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C23H20FN3O3S/c1-3-18-19(20-21(27-13(2)23(28)29)25-12-26-22(20)31-18)14-5-4-6-17(11-14)30-16-9-7-15(24)8-10-16/h4-13H,3H2,1-2H3,(H,28,29)(H,25,26,27)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from human N-terminal thrombin cleavage site-fused/His6-tagged Bcl-2 expressed in Es...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519031 (CHEMBL4455139) Show SMILES CCc1sc2ncnc(N[C@@H](C(O)=O)c3ccccc3)c2c1-c1cccc(O)c1 |r| Show InChI InChI=1S/C22H19N3O3S/c1-2-16-17(14-9-6-10-15(26)11-14)18-20(23-12-24-21(18)29-16)25-19(22(27)28)13-7-4-3-5-8-13/h3-12,19,26H,2H2,1H3,(H,27,28)(H,23,24,25)/t19-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50519048 (CHEMBL4455822) Show SMILES CCc1sc2ncnc(N[C@H](CC3CCCCC3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C29H30FN3O3S/c1-2-24-25(19-9-6-10-22(16-19)36-21-13-11-20(30)12-14-21)26-27(31-17-32-28(26)37-24)33-23(29(34)35)15-18-7-4-3-5-8-18/h6,9-14,16-18,23H,2-5,7-8,15H2,1H3,(H,34,35)(H,31,32,33)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from human N-terminal thrombin cleavage site-fused/His6-tagged Bcl-2 expressed in Es...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519057 (CHEMBL4448750) Show SMILES CCc1sc2ncnc(O[C@H](C)C(O)=O)c2c1-c1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C20H22N2O3S/c1-5-15-16(14-8-6-13(7-9-14)11(2)3)17-18(25-12(4)20(23)24)21-10-22-19(17)26-15/h6-12H,5H2,1-4H3,(H,23,24)/t12-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519037 (CHEMBL4472592) Show SMILES CCc1sc2nc(nc(N[C@H](C)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1)-c1cccnc1 |r| Show InChI InChI=1S/C28H23FN4O3S/c1-3-22-23(17-6-4-8-21(14-17)36-20-11-9-19(29)10-12-20)24-26(31-16(2)28(34)35)32-25(33-27(24)37-22)18-7-5-13-30-15-18/h4-16H,3H2,1-2H3,(H,34,35)(H,31,32,33)/t16-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519055 (CHEMBL4580279) Show SMILES CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(O)c1 |r| Show InChI InChI=1S/C23H21N3O3S/c1-2-18-19(15-9-6-10-16(27)12-15)20-21(24-13-25-22(20)30-18)26-17(23(28)29)11-14-7-4-3-5-8-14/h3-10,12-13,17,27H,2,11H2,1H3,(H,28,29)(H,24,25,26)/t17-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50519018 (CHEMBL4460382) Show SMILES CCc1sc2ncnc(NC(C(O)=O)c3ccccc3)c2c1-c1cccc(Oc2ccc(F)cc2)c1 Show InChI InChI=1S/C28H22FN3O3S/c1-2-22-23(18-9-6-10-21(15-18)35-20-13-11-19(29)12-14-20)24-26(30-16-31-27(24)36-22)32-25(28(33)34)17-7-4-3-5-8-17/h3-16,25H,2H2,1H3,(H,33,34)(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from human N-terminal thrombin cleavage site-fused/His6-tagged Bcl-2 expressed in Es...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50519018 (CHEMBL4460382) Show SMILES CCc1sc2ncnc(NC(C(O)=O)c3ccccc3)c2c1-c1cccc(Oc2ccc(F)cc2)c1 Show InChI InChI=1S/C28H22FN3O3S/c1-2-22-23(18-9-6-10-21(15-18)35-20-13-11-19(29)12-14-20)24-26(30-16-31-27(24)36-22)32-25(28(33)34)17-7-4-3-5-8-17/h3-16,25H,2H2,1H3,(H,33,34)(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) by fluorescence polarization assay				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50519048 (CHEMBL4455822) Show SMILES CCc1sc2ncnc(N[C@H](CC3CCCCC3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C29H30FN3O3S/c1-2-24-25(19-9-6-10-22(16-19)36-21-13-11-20(30)12-14-21)26-27(31-17-32-28(26)37-24)33-23(29(34)35)15-18-7-4-3-5-8-18/h6,9-14,16-18,23H,2-5,7-8,15H2,1H3,(H,34,35)(H,31,32,33)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) by fluorescence polarization assay				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519025 (CHEMBL4476787) Show SMILES CCc1sc2ncnc(O[C@H](C)C(O)=O)c2c1-c1ccccc1C |r,wU:10.10,(15.8,-11.63,;15.03,-10.29,;13.49,-10.29,;12.59,-11.54,;11.13,-11.07,;9.79,-11.85,;8.45,-11.08,;8.45,-9.53,;9.79,-8.76,;9.79,-7.22,;8.44,-6.45,;8.43,-4.91,;7.11,-7.23,;5.77,-6.46,;7.11,-8.77,;11.12,-9.52,;12.59,-9.05,;13.06,-7.58,;12.03,-6.45,;12.5,-4.99,;14.01,-4.66,;15.04,-5.8,;14.58,-7.27,;15.61,-8.41,)| Show InChI InChI=1S/C18H18N2O3S/c1-4-13-14(12-8-6-5-7-10(12)2)15-16(23-11(3)18(21)22)19-9-20-17(15)24-13/h5-9,11H,4H2,1-3H3,(H,21,22)/t11-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519025 (CHEMBL4476787) Show SMILES CCc1sc2ncnc(O[C@H](C)C(O)=O)c2c1-c1ccccc1C |r,wU:10.10,(15.8,-11.63,;15.03,-10.29,;13.49,-10.29,;12.59,-11.54,;11.13,-11.07,;9.79,-11.85,;8.45,-11.08,;8.45,-9.53,;9.79,-8.76,;9.79,-7.22,;8.44,-6.45,;8.43,-4.91,;7.11,-7.23,;5.77,-6.46,;7.11,-8.77,;11.12,-9.52,;12.59,-9.05,;13.06,-7.58,;12.03,-6.45,;12.5,-4.99,;14.01,-4.66,;15.04,-5.8,;14.58,-7.27,;15.61,-8.41,)| Show InChI InChI=1S/C18H18N2O3S/c1-4-13-14(12-8-6-5-7-10(12)2)15-16(23-11(3)18(21)22)19-9-20-17(15)24-13/h5-9,11H,4H2,1-3H3,(H,21,22)/t11-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50519037 (CHEMBL4472592) Show SMILES CCc1sc2nc(nc(N[C@H](C)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1)-c1cccnc1 |r| Show InChI InChI=1S/C28H23FN4O3S/c1-3-22-23(17-6-4-8-21(14-17)36-20-11-9-19(29)10-12-20)24-26(31-16(2)28(34)35)32-25(33-27(24)37-22)18-7-5-13-30-15-18/h4-16H,3H2,1-2H3,(H,34,35)(H,31,32,33)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) by fluorescence polarization assay				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50519032 (CHEMBL4450255) Show SMILES CCc1sc2ncnc(N[C@@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C29H24FN3O3S/c1-2-24-25(19-9-6-10-22(16-19)36-21-13-11-20(30)12-14-21)26-27(31-17-32-28(26)37-24)33-23(29(34)35)15-18-7-4-3-5-8-18/h3-14,16-17,23H,2,15H2,1H3,(H,34,35)(H,31,32,33)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) by fluorescence polarization assay				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519041 (CHEMBL4464302) Show SMILES CC(=C)c1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:11.11,(62.48,-29.38,;61.71,-30.71,;62.48,-32.05,;60.17,-30.71,;59.28,-31.96,;57.81,-31.49,;56.48,-32.27,;55.13,-31.5,;55.14,-29.95,;56.47,-29.18,;56.47,-27.64,;55.13,-26.87,;55.13,-25.33,;53.8,-24.56,;53.8,-23.02,;52.47,-22.26,;51.14,-23.03,;51.14,-24.58,;52.48,-25.34,;53.8,-27.64,;52.47,-26.88,;53.8,-29.18,;57.81,-29.94,;59.27,-29.47,;59.74,-28,;58.71,-26.87,;59.18,-25.41,;60.69,-25.08,;61.73,-26.22,;63.23,-25.89,;61.26,-27.69,;62.29,-28.83,)| Show InChI InChI=1S/C25H22ClN3O2S/c1-14(2)22-20(17-10-7-11-18(26)15(17)3)21-23(27-13-28-24(21)32-22)29-19(25(30)31)12-16-8-5-4-6-9-16/h4-11,13,19H,1,12H2,2-3H3,(H,30,31)(H,27,28,29)/t19-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519036 (CHEMBL4467044) Show SMILES CCc1sc2ncnc(N[C@H](C)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C23H20FN3O3S/c1-3-18-19(20-21(27-13(2)23(28)29)25-12-26-22(20)31-18)14-5-4-6-17(11-14)30-16-9-7-15(24)8-10-16/h4-13H,3H2,1-2H3,(H,28,29)(H,25,26,27)/t13-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519056 (CHEMBL4460632) Show SMILES CCc1sc2ncnc(N[C@@H](C)C(O)=O)c2c1-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H16F3N3O2S/c1-3-12-13(10-5-4-6-11(7-10)18(19,20)21)14-15(24-9(2)17(25)26)22-8-23-16(14)27-12/h4-9H,3H2,1-2H3,(H,25,26)(H,22,23,24)/t9-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50519029 (CHEMBL4524567) Show SMILES OC(=O)[C@@H](Cc1ccccc1)Nc1ncnc2sc(c(-c3cccc(O)c3)c12)-c1ccccc1 |r| Show InChI InChI=1S/C27H21N3O3S/c31-20-13-7-12-19(15-20)22-23-25(30-21(27(32)33)14-17-8-3-1-4-9-17)28-16-29-26(23)34-24(22)18-10-5-2-6-11-18/h1-13,15-16,21,31H,14H2,(H,32,33)(H,28,29,30)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from human N-terminal thrombin cleavage site-fused/His6-tagged Bcl-2 expressed in Es...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519028 (CHEMBL4450405) Show SMILES CCc1sc2ncnc(N[C@H](C)C(O)=O)c2c1-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C19H18N4O2S/c1-3-14-15(12-4-5-13-11(8-12)6-7-20-13)16-17(23-10(2)19(24)25)21-9-22-18(16)26-14/h4-10,20H,3H2,1-2H3,(H,24,25)(H,21,22,23)/t10-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519027 (CHEMBL4547333) Show SMILES CCc1sc2ncnc(N[C@H](C)C(O)=O)c2c1-c1ccccc1OCc1ccccc1 |r,wU:10.10,(33.92,-28.48,;33.15,-27.15,;31.61,-27.15,;30.71,-28.4,;29.24,-27.92,;27.91,-28.7,;26.57,-27.93,;26.57,-26.39,;27.9,-25.62,;27.9,-24.08,;26.56,-23.31,;26.55,-21.77,;25.23,-24.08,;23.89,-23.32,;25.23,-25.62,;29.24,-26.38,;30.71,-25.9,;31.18,-24.44,;30.15,-23.3,;30.62,-21.84,;32.13,-21.51,;33.16,-22.65,;32.69,-24.12,;33.72,-25.27,;35.23,-24.95,;36.26,-26.09,;35.78,-27.55,;36.81,-28.7,;38.32,-28.38,;38.79,-26.9,;37.76,-25.76,)| Show InChI InChI=1S/C24H23N3O3S/c1-3-19-20(21-22(27-15(2)24(28)29)25-14-26-23(21)31-19)17-11-7-8-12-18(17)30-13-16-9-5-4-6-10-16/h4-12,14-15H,3,13H2,1-2H3,(H,28,29)(H,25,26,27)/t15-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519029 (CHEMBL4524567) Show SMILES OC(=O)[C@@H](Cc1ccccc1)Nc1ncnc2sc(c(-c3cccc(O)c3)c12)-c1ccccc1 |r| Show InChI InChI=1S/C27H21N3O3S/c31-20-13-7-12-19(15-20)22-23-25(30-21(27(32)33)14-17-8-3-1-4-9-17)28-16-29-26(23)34-24(22)18-10-5-2-6-11-18/h1-13,15-16,21,31H,14H2,(H,32,33)(H,28,29,30)/t21-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50519033 (CHEMBL4514111) Show SMILES CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C29H24FN3O3S/c1-2-24-25(19-9-6-10-22(16-19)36-21-13-11-20(30)12-14-21)26-27(31-17-32-28(26)37-24)33-23(29(34)35)15-18-7-4-3-5-8-18/h3-14,16-17,23H,2,15H2,1H3,(H,34,35)(H,31,32,33)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) by fluorescence polarization assay				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50519033 (CHEMBL4514111) Show SMILES CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C29H24FN3O3S/c1-2-24-25(19-9-6-10-22(16-19)36-21-13-11-20(30)12-14-21)26-27(31-17-32-28(26)37-24)33-23(29(34)35)15-18-7-4-3-5-8-18/h3-14,16-17,23H,2,15H2,1H3,(H,34,35)(H,31,32,33)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from human N-terminal thrombin cleavage site-fused/His6-tagged Bcl-2 expressed in Es...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50519032 (CHEMBL4450255) Show SMILES CCc1sc2ncnc(N[C@@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C29H24FN3O3S/c1-2-24-25(19-9-6-10-22(16-19)36-21-13-11-20(30)12-14-21)26-27(31-17-32-28(26)37-24)33-23(29(34)35)15-18-7-4-3-5-8-18/h3-14,16-17,23H,2,15H2,1H3,(H,34,35)(H,31,32,33)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from human N-terminal thrombin cleavage site-fused/His6-tagged Bcl-2 expressed in Es...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519022 (CHEMBL4472351) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccc(OCCN2CCN(C)CC2)c(Cl)c1C |r,wU:10.10,(65.68,-39.02,;64.91,-37.69,;63.37,-37.69,;62.47,-38.94,;61,-38.46,;59.67,-39.24,;58.33,-38.47,;58.33,-36.92,;59.67,-36.15,;59.67,-34.61,;58.33,-33.84,;58.33,-32.3,;56.99,-31.54,;57,-30,;55.67,-29.23,;54.33,-30,;54.34,-31.55,;55.67,-32.31,;57,-34.62,;55.66,-33.85,;57,-36.16,;61,-36.92,;62.47,-36.44,;62.94,-34.97,;61.91,-33.84,;62.38,-32.38,;63.89,-32.05,;64.36,-30.59,;65.87,-30.26,;66.34,-28.79,;67.84,-28.47,;68.88,-29.62,;70.38,-29.3,;70.86,-27.83,;72.35,-27.43,;69.83,-26.69,;68.31,-27.01,;64.92,-33.19,;66.43,-32.86,;64.45,-34.66,;65.48,-35.8,)| Show InChI InChI=1S/C31H35ClN4O4S/c1-4-25-26(22-10-11-23(28(32)20(22)2)39-17-16-36-14-12-35(3)13-15-36)27-29(33-19-34-30(27)41-25)40-24(31(37)38)18-21-8-6-5-7-9-21/h5-11,19,24H,4,12-18H2,1-3H3,(H,37,38)/t24-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50519022 (CHEMBL4472351) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccc(OCCN2CCN(C)CC2)c(Cl)c1C |r,wU:10.10,(65.68,-39.02,;64.91,-37.69,;63.37,-37.69,;62.47,-38.94,;61,-38.46,;59.67,-39.24,;58.33,-38.47,;58.33,-36.92,;59.67,-36.15,;59.67,-34.61,;58.33,-33.84,;58.33,-32.3,;56.99,-31.54,;57,-30,;55.67,-29.23,;54.33,-30,;54.34,-31.55,;55.67,-32.31,;57,-34.62,;55.66,-33.85,;57,-36.16,;61,-36.92,;62.47,-36.44,;62.94,-34.97,;61.91,-33.84,;62.38,-32.38,;63.89,-32.05,;64.36,-30.59,;65.87,-30.26,;66.34,-28.79,;67.84,-28.47,;68.88,-29.62,;70.38,-29.3,;70.86,-27.83,;72.35,-27.43,;69.83,-26.69,;68.31,-27.01,;64.92,-33.19,;66.43,-32.86,;64.45,-34.66,;65.48,-35.8,)| Show InChI InChI=1S/C31H35ClN4O4S/c1-4-25-26(22-10-11-23(28(32)20(22)2)39-17-16-36-14-12-35(3)13-15-36)27-29(33-19-34-30(27)41-25)40-24(31(37)38)18-21-8-6-5-7-9-21/h5-11,19,24H,4,12-18H2,1-3H3,(H,37,38)/t24-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair				3D Structure (crystal)

Displayed 1 to 50 (of 966 total )  |  Next  |  Last  >>

Jump to: