Compile Data Set for Download or QSAR

Found 1034 hits with Last Name = 'tian' and Initial = 'w'   

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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human HDAC6 by jump dilution assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Arginase-2, mitochondrial (Homo sapiens (Human))	BDBM50350311 (CHEMBL1812661) Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O |r| Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University Curated by ChEMBL					Assay Description Binding affinity to human arginase 2				J Med Chem 54: 5432-43 (2011) Article DOI: 10.1021/jm200443b BindingDB Entry DOI: 10.7270/Q2TH8N21
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50216093 (CHEMBL431134) Show SMILES CCOP(=O)(OCC)C1=CC2=CCC3C4CC[C@H](C(=O)NC(C)(C)C)[C@@]4(C)CCC3[C@@]2(C)CC1 |t:8,10| Show InChI InChI=1S/C28H46NO4P/c1-8-32-34(31,33-9-2)20-14-16-27(6)19(18-20)10-11-21-22-12-13-24(25(30)29-26(3,4)5)28(22,7)17-15-23(21)27/h10,18,21-24H,8-9,11-17H2,1-7H3,(H,29,30)/t21?,22?,23?,24-,27+,28+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Ability to inhibit Steroid 5-alpha-reductase in rat using Enzyme kinetics method.				Bioorg Med Chem Lett 8: 1949-52 (1998) BindingDB Entry DOI: 10.7270/Q20867GT
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50216092 (CHEMBL57922) Show SMILES CC(C)(C)NC(=O)[C@H]1CCC2C3CC=C4C=C(CC[C@]4(C)C3CC[C@]12C)C#Cc1ccccc1 |c:15,t:13| Show InChI InChI=1S/C32H41NO/c1-30(2,3)33-29(34)28-16-15-26-25-14-13-24-21-23(12-11-22-9-7-6-8-10-22)17-19-31(24,4)27(25)18-20-32(26,28)5/h6-10,13,21,25-28H,14-20H2,1-5H3,(H,33,34)/t25?,26?,27?,28-,31+,32+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Ability to inhibit Steroid 5-alpha-reductase in rat using Enzyme kinetics method.				Bioorg Med Chem Lett 8: 1949-52 (1998) BindingDB Entry DOI: 10.7270/Q20867GT
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50334788 ((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18| Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Ability to inhibit Steroid 5-alpha-reductase in rat using Enzyme kinetics method.				Bioorg Med Chem Lett 8: 1949-52 (1998) BindingDB Entry DOI: 10.7270/Q20867GT
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50195313 (CHEMBL3895790) Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc3ccccc3)c(c1)[N+]([O-])=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H41N3O5S2/c1-25-22-32-33(38(5,6)19-18-37(32,3)4)24-31(25)26(2)27-12-14-28(15-13-27)36(42)40-48(45,46)30-16-17-34(35(23-30)41(43)44)39-20-21-47-29-10-8-7-9-11-29/h7-17,22-24,39H,2,18-21H2,1,3-6H3,(H,40,42)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50216093 (CHEMBL431134) Show SMILES CCOP(=O)(OCC)C1=CC2=CCC3C4CC[C@H](C(=O)NC(C)(C)C)[C@@]4(C)CCC3[C@@]2(C)CC1 |t:8,10| Show InChI InChI=1S/C28H46NO4P/c1-8-32-34(31,33-9-2)20-14-16-27(6)19(18-20)10-11-21-22-12-13-24(25(30)29-26(3,4)5)28(22,7)17-15-23(21)27/h10,18,21-24H,8-9,11-17H2,1-7H3,(H,29,30)/t21?,22?,23?,24-,27+,28+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Ability to inhibit Steroid 5-alpha-reductase in rat using Isotope method [3H]T to [3H]-DHT]				Bioorg Med Chem Lett 8: 1949-52 (1998) BindingDB Entry DOI: 10.7270/Q20867GT
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195310 (CHEMBL3891088) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C31H28N4O7S2/c1-42-25-14-7-22(8-15-25)9-18-30(36)33-24-12-10-23(11-13-24)31(37)34-44(40,41)27-16-17-28(29(21-27)35(38)39)32-19-20-43-26-5-3-2-4-6-26/h2-18,21,32H,19-20H2,1H3,(H,33,36)(H,34,37)/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50334788 ((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18| Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Ability to inhibit Steroid 5-alpha-reductase in rat using Isotope method [3H]T to [3H]-DHT]				Bioorg Med Chem Lett 8: 1949-52 (1998) BindingDB Entry DOI: 10.7270/Q20867GT
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195320 (CHEMBL3980363) Show SMILES COc1ccccc1\C=C\C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C31H28N4O7S2/c1-42-29-10-6-5-7-22(29)13-18-30(36)33-24-14-11-23(12-15-24)31(37)34-44(40,41)26-16-17-27(28(21-26)35(38)39)32-19-20-43-25-8-3-2-4-9-25/h2-18,21,32H,19-20H2,1H3,(H,33,36)(H,34,37)/b18-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50216092 (CHEMBL57922) Show SMILES CC(C)(C)NC(=O)[C@H]1CCC2C3CC=C4C=C(CC[C@]4(C)C3CC[C@]12C)C#Cc1ccccc1 |c:15,t:13| Show InChI InChI=1S/C32H41NO/c1-30(2,3)33-29(34)28-16-15-26-25-14-13-24-21-23(12-11-22-9-7-6-8-10-22)17-19-31(24,4)27(25)18-20-32(26,28)5/h6-10,13,21,25-28H,14-20H2,1-5H3,(H,33,34)/t25?,26?,27?,28-,31+,32+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Ability to inhibit Steroid 5-alpha-reductase in rat using Isotope method [3H]T to [3H]-DHT]				Bioorg Med Chem Lett 8: 1949-52 (1998) BindingDB Entry DOI: 10.7270/Q20867GT
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195317 (CHEMBL3926515) Show SMILES COc1cccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C31H28N4O7S2/c1-42-25-7-5-6-22(20-25)10-17-30(36)33-24-13-11-23(12-14-24)31(37)34-44(40,41)27-15-16-28(29(21-27)35(38)39)32-18-19-43-26-8-3-2-4-9-26/h2-17,20-21,32H,18-19H2,1H3,(H,33,36)(H,34,37)/b17-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195307 (CHEMBL3933727) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccccc2Cl)cc1 Show InChI InChI=1S/C30H25ClN4O6S2/c31-26-9-5-4-6-21(26)12-17-29(36)33-23-13-10-22(11-14-23)30(37)34-43(40,41)25-15-16-27(28(20-25)35(38)39)32-18-19-42-24-7-2-1-3-8-24/h1-17,20,32H,18-19H2,(H,33,36)(H,34,37)/b17-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195323 (CHEMBL3951428) Show SMILES Cc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C31H28N4O6S2/c1-22-7-9-23(10-8-22)11-18-30(36)33-25-14-12-24(13-15-25)31(37)34-43(40,41)27-16-17-28(29(21-27)35(38)39)32-19-20-42-26-5-3-2-4-6-26/h2-18,21,32H,19-20H2,1H3,(H,33,36)(H,34,37)/b18-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195309 (CHEMBL3900077) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C30H26N4O6S2/c35-29(18-11-22-7-3-1-4-8-22)32-24-14-12-23(13-15-24)30(36)33-42(39,40)26-16-17-27(28(21-26)34(37)38)31-19-20-41-25-9-5-2-6-10-25/h1-18,21,31H,19-20H2,(H,32,35)(H,33,36)/b18-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195316 (CHEMBL3909131) Show SMILES Cc1cccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C31H28N4O6S2/c1-22-6-5-7-23(20-22)10-17-30(36)33-25-13-11-24(12-14-25)31(37)34-43(40,41)27-15-16-28(29(21-27)35(38)39)32-18-19-42-26-8-3-2-4-9-26/h2-17,20-21,32H,18-19H2,1H3,(H,33,36)(H,34,37)/b17-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195322 (CHEMBL3971723) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C31H25F3N4O6S2/c32-31(33,34)26-9-5-4-6-21(26)12-17-29(39)36-23-13-10-22(11-14-23)30(40)37-46(43,44)25-15-16-27(28(20-25)38(41)42)35-18-19-45-24-7-2-1-3-8-24/h1-17,20,35H,18-19H2,(H,36,39)(H,37,40)/b17-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195311 (CHEMBL3960206) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C30H25ClN4O6S2/c31-23-11-6-21(7-12-23)8-17-29(36)33-24-13-9-22(10-14-24)30(37)34-43(40,41)26-15-16-27(28(20-26)35(38)39)32-18-19-42-25-4-2-1-3-5-25/h1-17,20,32H,18-19H2,(H,33,36)(H,34,37)/b17-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195306 (CHEMBL3979383) Show SMILES Cc1ccccc1\C=C\C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C31H28N4O6S2/c1-22-7-5-6-8-23(22)13-18-30(36)33-25-14-11-24(12-15-25)31(37)34-43(40,41)27-16-17-28(29(21-27)35(38)39)32-19-20-42-26-9-3-2-4-10-26/h2-18,21,32H,19-20H2,1H3,(H,33,36)(H,34,37)/b18-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50195308 (CHEMBL3918541) Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc3ccccc3)c(c1)[N+]([O-])=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C45H46N4O6S2/c1-29-26-38-39(45(5,6)23-22-44(38,3)4)28-37(29)30(2)31-12-14-32(15-13-31)42(50)47-34-18-16-33(17-19-34)43(51)48-57(54,55)36-20-21-40(41(27-36)49(52)53)46-24-25-56-35-10-8-7-9-11-35/h7-21,26-28,46H,2,22-25H2,1,3-6H3,(H,47,50)(H,48,51)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195318 (CHEMBL3902269) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C31H25F3N4O6S2/c32-31(33,34)23-6-4-5-21(19-23)9-16-29(39)36-24-12-10-22(11-13-24)30(40)37-46(43,44)26-14-15-27(28(20-26)38(41)42)35-17-18-45-25-7-2-1-3-8-25/h1-16,19-20,35H,17-18H2,(H,36,39)(H,37,40)/b16-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195321 (CHEMBL3961198) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C30H25ClN4O6S2/c31-23-6-4-5-21(19-23)9-16-29(36)33-24-12-10-22(11-13-24)30(37)34-43(40,41)26-14-15-27(28(20-26)35(38)39)32-17-18-42-25-7-2-1-3-8-25/h1-16,19-20,32H,17-18H2,(H,33,36)(H,34,37)/b16-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using FAM-Bid peptide as substrate by fluorescence polarization-based assay				Bioorg Med Chem Lett 26: 3464-7 (2016) Article DOI: 10.1016/j.bmcl.2016.06.043 BindingDB Entry DOI: 10.7270/Q20K2BH3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195312 (CHEMBL3971226) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 Show InChI InChI=1S/C30H28N4O6S2/c35-29(18-11-22-7-3-1-4-8-22)32-24-14-12-23(13-15-24)30(36)33-42(39,40)26-16-17-27(28(21-26)34(37)38)31-19-20-41-25-9-5-2-6-10-25/h1-10,12-17,21,31H,11,18-20H2,(H,32,35)(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195314 (CHEMBL3947409) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C28H23N3O6S2/c32-27(20-7-3-1-4-8-20)21-11-13-22(14-12-21)28(33)30-39(36,37)24-15-16-25(26(19-24)31(34)35)29-17-18-38-23-9-5-2-6-10-23/h1-16,19,29H,17-18H2,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50195316 (CHEMBL3909131) Show SMILES Cc1cccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C31H28N4O6S2/c1-22-6-5-7-23(20-22)10-17-30(36)33-25-13-11-24(12-14-25)31(37)34-43(40,41)27-15-16-28(29(21-27)35(38)39)32-18-19-42-26-8-3-2-4-9-26/h2-17,20-21,32H,18-19H2,1H3,(H,33,36)(H,34,37)/b17-10+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of Bcl-2 (unknown origin) using FAM-Bid peptide as substrate by fluorescence polarization-based assay				Bioorg Med Chem Lett 26: 3464-7 (2016) Article DOI: 10.1016/j.bmcl.2016.06.043 BindingDB Entry DOI: 10.7270/Q20K2BH3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195315 (CHEMBL3976674) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C29H26N4O6S2/c34-28(19-21-7-3-1-4-8-21)31-23-13-11-22(12-14-23)29(35)32-41(38,39)25-15-16-26(27(20-25)33(36)37)30-17-18-40-24-9-5-2-6-10-24/h1-16,20,30H,17-19H2,(H,31,34)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195319 (CHEMBL3960600) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C31H25F3N4O6S2/c32-31(33,34)23-11-6-21(7-12-23)8-17-29(39)36-24-13-9-22(10-14-24)30(40)37-46(43,44)26-15-16-27(28(20-26)38(41)42)35-18-19-45-25-4-2-1-3-5-25/h1-17,20,35H,18-19H2,(H,36,39)(H,37,40)/b17-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50195310 (CHEMBL3891088) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C31H28N4O7S2/c1-42-25-14-7-22(8-15-25)9-18-30(36)33-24-12-10-23(11-13-24)31(37)34-44(40,41)27-16-17-28(29(21-27)35(38)39)32-19-20-43-26-5-3-2-4-6-26/h2-18,21,32H,19-20H2,1H3,(H,33,36)(H,34,37)/b18-9+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50195307 (CHEMBL3933727) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccccc2Cl)cc1 Show InChI InChI=1S/C30H25ClN4O6S2/c31-26-9-5-4-6-21(26)12-17-29(36)33-23-13-10-22(11-14-23)30(37)34-43(40,41)25-15-16-27(28(20-25)35(38)39)32-18-19-42-24-7-2-1-3-8-24/h1-17,20,32H,18-19H2,(H,33,36)(H,34,37)/b17-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50362149 (CHEMBL1940668) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C28H24N4O6S2/c33-27(20-7-3-1-4-8-20)30-22-13-11-21(12-14-22)28(34)31-40(37,38)24-15-16-25(26(19-24)32(35)36)29-17-18-39-23-9-5-2-6-10-23/h1-16,19,29H,17-18H2,(H,30,33)(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50195323 (CHEMBL3951428) Show SMILES Cc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C31H28N4O6S2/c1-22-7-9-23(10-8-22)11-18-30(36)33-25-14-12-24(13-15-25)31(37)34-43(40,41)27-16-17-28(29(21-27)35(38)39)32-19-20-42-26-5-3-2-4-6-26/h2-18,21,32H,19-20H2,1H3,(H,33,36)(H,34,37)/b18-11+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50195322 (CHEMBL3971723) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C31H25F3N4O6S2/c32-31(33,34)26-9-5-4-6-21(26)12-17-29(39)36-23-13-10-22(11-14-23)30(40)37-46(43,44)25-15-16-27(28(20-25)38(41)42)35-18-19-45-24-7-2-1-3-8-24/h1-17,20,35H,18-19H2,(H,36,39)(H,37,40)/b17-12+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50195320 (CHEMBL3980363) Show SMILES COc1ccccc1\C=C\C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C31H28N4O7S2/c1-42-29-10-6-5-7-22(29)13-18-30(36)33-24-14-11-23(12-15-24)31(37)34-44(40,41)26-16-17-27(28(21-26)35(38)39)32-19-20-43-25-8-3-2-4-9-25/h2-18,21,32H,19-20H2,1H3,(H,33,36)(H,34,37)/b18-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50195317 (CHEMBL3926515) Show SMILES COc1cccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C31H28N4O7S2/c1-42-25-7-5-6-22(20-25)10-17-30(36)33-24-13-11-23(12-14-24)31(37)34-44(40,41)27-15-16-28(29(21-27)35(38)39)32-18-19-43-26-8-3-2-4-9-26/h2-17,20-21,32H,18-19H2,1H3,(H,33,36)(H,34,37)/b17-10+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50195306 (CHEMBL3979383) Show SMILES Cc1ccccc1\C=C\C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C31H28N4O6S2/c1-22-7-5-6-8-23(22)13-18-30(36)33-25-14-11-24(12-15-25)31(37)34-43(40,41)27-16-17-28(29(21-27)35(38)39)32-19-20-42-26-9-3-2-4-10-26/h2-18,21,32H,19-20H2,1H3,(H,33,36)(H,34,37)/b18-13+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50195311 (CHEMBL3960206) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C30H25ClN4O6S2/c31-23-11-6-21(7-12-23)8-17-29(36)33-24-13-9-22(10-14-24)30(37)34-43(40,41)26-15-16-27(28(20-26)35(38)39)32-18-19-42-25-4-2-1-3-5-25/h1-17,20,32H,18-19H2,(H,33,36)(H,34,37)/b17-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50195310 (CHEMBL3891088) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C31H28N4O7S2/c1-42-25-14-7-22(8-15-25)9-18-30(36)33-24-12-10-23(11-13-24)31(37)34-44(40,41)27-16-17-28(29(21-27)35(38)39)32-19-20-43-26-5-3-2-4-6-26/h2-18,21,32H,19-20H2,1H3,(H,33,36)(H,34,37)/b18-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50195321 (CHEMBL3961198) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C30H25ClN4O6S2/c31-23-6-4-5-21(19-23)9-16-29(36)33-24-12-10-22(11-13-24)30(37)34-43(40,41)26-14-15-27(28(20-26)35(38)39)32-17-18-42-25-7-2-1-3-8-25/h1-16,19-20,32H,17-18H2,(H,33,36)(H,34,37)/b16-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50195321 (CHEMBL3961198) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C30H25ClN4O6S2/c31-23-6-4-5-21(19-23)9-16-29(36)33-24-12-10-22(11-13-24)30(37)34-43(40,41)26-14-15-27(28(20-26)35(38)39)32-17-18-42-25-7-2-1-3-8-25/h1-16,19-20,32H,17-18H2,(H,33,36)(H,34,37)/b16-9+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50189878 (CHEMBL3828055) Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)cc1Cc1ccccc1 Show InChI InChI=1S/C23H18O6/c1-28-15-9-19(26)23-20(27)12-21(29-22(23)10-15)16-11-18(25)17(24)8-14(16)7-13-5-3-2-4-6-13/h2-6,8-12,24-26H,7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of Bcl-2 (unknown origin) using FAM-Bid peptide as substrate by fluorescence polarization-based assay				Bioorg Med Chem Lett 26: 3464-7 (2016) Article DOI: 10.1016/j.bmcl.2016.06.043 BindingDB Entry DOI: 10.7270/Q20K2BH3
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50195323 (CHEMBL3951428) Show SMILES Cc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C31H28N4O6S2/c1-22-7-9-23(10-8-22)11-18-30(36)33-25-14-12-24(13-15-25)31(37)34-43(40,41)27-16-17-28(29(21-27)35(38)39)32-19-20-42-26-5-3-2-4-6-26/h2-18,21,32H,19-20H2,1H3,(H,33,36)(H,34,37)/b18-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50195309 (CHEMBL3900077) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C30H26N4O6S2/c35-29(18-11-22-7-3-1-4-8-22)32-24-14-12-23(13-15-24)30(36)33-42(39,40)26-16-17-27(28(21-26)34(37)38)31-19-20-41-25-9-5-2-6-10-25/h1-18,21,31H,19-20H2,(H,32,35)(H,33,36)/b18-11+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50195306 (CHEMBL3979383) Show SMILES Cc1ccccc1\C=C\C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C31H28N4O6S2/c1-22-7-5-6-8-23(22)13-18-30(36)33-25-14-11-24(12-15-25)31(37)34-43(40,41)27-16-17-28(29(21-27)35(38)39)32-19-20-42-26-9-3-2-4-10-26/h2-18,21,32H,19-20H2,1H3,(H,33,36)(H,34,37)/b18-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair

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