Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 7266   

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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185629 (US9156856, 42 | US9493431, 42) Show SMILES Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2c(F)c1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:45| Show InChI InChI=1S/C41H41ClF2N8O4S/c1-24-19-25(2)52-39(46-24)47-40(48-52)57(54,55)49-38(53)31-10-9-30(21-33(31)56-34-20-27-12-14-45-37(27)36(44)35(34)43)51-17-15-50(16-18-51)23-28-11-13-41(3,4)22-32(28)26-5-7-29(42)8-6-26/h5-10,12,14,19-21,45H,11,13,15-18,22-23H2,1-4H3,(H,49,53)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0390	-59.4	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185628 (US9156856, 41 | US9493431, 41) Show SMILES Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2cc1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:44| Show InChI InChI=1S/C41H42ClFN8O4S/c1-25-19-26(2)51-39(45-25)46-40(47-51)56(53,54)48-38(52)32-10-9-31(21-36(32)55-37-20-28-12-14-44-35(28)22-34(37)43)50-17-15-49(16-18-50)24-29-11-13-41(3,4)23-33(29)27-5-7-30(42)8-6-27/h5-10,12,14,19-22,44H,11,13,15-18,23-24H2,1-4H3,(H,48,52)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0530	-58.7	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185598 (US9156856, 8 | US9493431, 8) Show SMILES CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCCC2)c2ccc(Cl)cc2)CC1 |t:45| Show InChI InChI=1S/C42H51ClN6O5S3/c1-30(2)46(3)22-21-35(29-55-37-10-5-4-6-11-37)44-42-39(49(51)52)27-40(56-42)57(53,54)45-41(50)32-15-19-36(20-16-32)48-25-23-47(24-26-48)28-33-9-7-8-12-38(33)31-13-17-34(43)18-14-31/h4-6,10-11,13-20,27,30,35,44H,7-9,12,21-26,28-29H2,1-3H3,(H,45,50)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0640	-58.2	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185597 (US9156856, 7 | US9493431, 7) Show SMILES CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C42H47ClN6O5S3/c1-30(2)46(3)22-21-35(29-55-37-10-5-4-6-11-37)44-42-39(49(51)52)27-40(56-42)57(53,54)45-41(50)32-15-19-36(20-16-32)48-25-23-47(24-26-48)28-33-9-7-8-12-38(33)31-13-17-34(43)18-14-31/h4-20,27,30,35,44H,21-26,28-29H2,1-3H3,(H,45,50)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0840	-57.5	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185599 (US9156856, 9 | US9493431, 9) Show SMILES CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |t:45| Show InChI InChI=1S/C44H55ClN6O5S3/c1-31(2)48(5)22-20-36(30-57-38-9-7-6-8-10-38)46-43-40(51(53)54)27-41(58-43)59(55,56)47-42(52)33-13-17-37(18-14-33)50-25-23-49(24-26-50)29-34-28-44(3,4)21-19-39(34)32-11-15-35(45)16-12-32/h6-18,27,31,36,46H,19-26,28-30H2,1-5H3,(H,47,52)/t36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.307	-54.3	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185627 (US9156856, 40 | US9493431, 40) Show SMILES Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:40| Show InChI InChI=1S/C39H41Cl2N7O4S/c1-25-20-26(2)48-37(42-25)43-38(44-48)53(50,51)45-36(49)33-13-12-31(22-35(33)52-32-7-5-6-30(41)21-32)47-18-16-46(17-19-47)24-28-14-15-39(3,4)23-34(28)27-8-10-29(40)11-9-27/h5-13,20-22H,14-19,23-24H2,1-4H3,(H,45,49)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.407	-53.6	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185622 (US9156856, 33 | US9493431, 33) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cc(c(NCCCN4CCCC4)s3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H52ClN7O6S2/c1-45(2)16-14-33(38(29-45)31-6-8-34(46)9-7-31)30-51-22-24-52(25-23-51)35-10-12-37(41(27-35)59-36-11-13-39-32(26-36)15-18-47-39)43(54)49-61(57,58)42-28-40(53(55)56)44(60-42)48-17-5-21-50-19-3-4-20-50/h6-13,15,18,26-28,47-48H,3-5,14,16-17,19-25,29-30H2,1-2H3,(H,49,54)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.649	-52.4	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185635 (US9156856, 48 | US9493431, 48) Show SMILES Cc1nc(OCC2(F)CCOCC2)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ncc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47| Show InChI InChI=1S/C43H48ClFN6O6S2/c1-28-40(58-41(47-28)56-27-43(45)15-21-55-22-16-43)59(53,54)49-39(52)33-12-11-32(23-38(33)57-37-6-4-5-36-35(37)25-46-48-36)51-19-17-50(18-20-51)26-30-13-14-42(2,3)24-34(30)29-7-9-31(44)10-8-29/h4-12,23,25H,13-22,24,26-27H2,1-3H3,(H,46,48)(H,49,52)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.64	-50.1	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185633 (US9156856, 46 | US9493431, 46) Show SMILES Cc1nc(OCC2(F)CCOCC2)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47| Show InChI InChI=1S/C43H48ClFN6O6S2/c1-28-40(58-41(48-28)56-26-43(45)15-21-55-22-16-43)59(53,54)49-39(52)33-12-11-32(23-37(33)57-36-6-4-5-35-38(36)47-27-46-35)51-19-17-50(18-20-51)25-30-13-14-42(2,3)24-34(30)29-7-9-31(44)10-8-29/h4-12,23,27H,13-22,24-26H2,1-3H3,(H,46,47)(H,49,52)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.75	-50.0	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185623 (US9156856, 34 | US9493431, 34) Show SMILES CN(C)CCCNc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:46| Show InChI InChI=1S/C43H50ClN7O6S2/c1-43(2)16-14-31(36(27-43)29-6-8-32(44)9-7-29)28-49-20-22-50(23-21-49)33-10-12-35(39(25-33)57-34-11-13-37-30(24-34)15-18-45-37)41(52)47-59(55,56)40-26-38(51(53)54)42(58-40)46-17-5-19-48(3)4/h6-13,15,18,24-26,45-46H,5,14,16-17,19-23,27-28H2,1-4H3,(H,47,52)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.79	-49.9	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185624 (US9156856, 35 | US9493431, 35) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cc(c(NCCCN4CCOCC4)s3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58| Show InChI InChI=1S/C45H52ClN7O7S2/c1-45(2)14-12-33(38(29-45)31-4-6-34(46)7-5-31)30-51-18-20-52(21-19-51)35-8-10-37(41(27-35)60-36-9-11-39-32(26-36)13-16-47-39)43(54)49-62(57,58)42-28-40(53(55)56)44(61-42)48-15-3-17-50-22-24-59-25-23-50/h4-11,13,16,26-28,47-48H,3,12,14-15,17-25,29-30H2,1-2H3,(H,49,54)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.07	-49.6	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185632 (US9156856, 45 | US9493431, 45) Show SMILES Cc1nc(OCC2(F)CCOCC2)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47| Show InChI InChI=1S/C43H48ClFN6O6S2/c1-28-40(58-41(48-28)56-27-43(45)13-20-55-21-14-43)59(53,54)49-39(52)35-9-8-33(23-37(35)57-34-22-30-11-15-46-38(30)47-25-34)51-18-16-50(17-19-51)26-31-10-12-42(2,3)24-36(31)29-4-6-32(44)7-5-29/h4-9,11,15,22-23,25H,10,12-14,16-21,24,26-27H2,1-3H3,(H,46,47)(H,49,52)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.73	-46.6	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185626 (US9156856, 39 | US9493431, 39) Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C39H33Cl2N3O4S2/c1-26-35-23-30(41)15-18-37(35)49-39(26)50(46,47)42-38(45)34-17-16-31(24-36(34)48-32-8-3-2-4-9-32)44-21-19-43(20-22-44)25-28-7-5-6-10-33(28)27-11-13-29(40)14-12-27/h2-18,23-24H,19-22,25H2,1H3,(H,42,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20.2	-43.9	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185634 (US9156856, 47 | US9493431, 47) Show SMILES Cc1nc(OC[C@@H]2CN(CCO2)C(=O)OC(C)(C)C)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ncc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53| Show InChI InChI=1S/C47H56ClN7O8S2/c1-30-43(64-44(50-30)61-29-35-28-55(22-23-60-35)45(57)63-46(2,3)4)65(58,59)52-42(56)36-15-14-34(24-41(36)62-40-9-7-8-39-38(40)26-49-51-39)54-20-18-53(19-21-54)27-32-16-17-47(5,6)25-37(32)31-10-12-33(48)13-11-31/h7-15,24,26,35H,16-23,25,27-29H2,1-6H3,(H,49,51)(H,52,56)/t35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	20.4	-43.9	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185631 (US9156856, 44 | US9493431, 44) Show SMILES Cc1nc(OC[C@@H]2CN(CCO2)C(=O)OC(C)(C)C)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53| Show InChI InChI=1S/C47H56ClN7O8S2/c1-30-43(64-44(51-30)61-28-35-27-55(22-23-60-35)45(57)63-46(2,3)4)65(58,59)52-42(56)36-15-14-34(24-40(36)62-39-9-7-8-38-41(39)50-29-49-38)54-20-18-53(19-21-54)26-32-16-17-47(5,6)25-37(32)31-10-12-33(48)13-11-31/h7-15,24,29,35H,16-23,25-28H2,1-6H3,(H,49,50)(H,52,56)/t35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	24.8	-43.4	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185606 (US9156856, 16 | US9493431, 16) Show SMILES FC(F)(F)c1scc(c1-c1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C35H29ClF3N3O3S2/c36-28-14-10-24(11-15-28)30-9-5-4-8-27(30)22-41-18-20-42(21-19-41)29-16-12-26(13-17-29)34(43)40-47(44,45)31-23-46-33(35(37,38)39)32(31)25-6-2-1-3-7-25/h1-17,23H,18-22H2,(H,40,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37.9	-42.4	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185630 (US9156856, 43 | US9493431, 43) Show SMILES Cc1nc(OC[C@@H]2CN(CCO2)C(=O)OC(C)(C)C)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53| Show InChI InChI=1S/C47H56ClN7O8S2/c1-30-43(64-44(51-30)61-29-37-28-55(21-22-60-37)45(57)63-46(2,3)4)65(58,59)52-42(56)38-12-11-35(24-40(38)62-36-23-32-14-16-49-41(32)50-26-36)54-19-17-53(18-20-54)27-33-13-15-47(5,6)25-39(33)31-7-9-34(48)10-8-31/h7-12,14,16,23-24,26,37H,13,15,17-22,25,27-29H2,1-6H3,(H,49,50)(H,52,56)/t37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	46.5	-41.9	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185610 (US9156856, 20 | US9493431, 20) Show SMILES Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C31H30ClN7O3S/c1-21-19-22(2)39-30(33-21)34-31(35-39)43(41,42)36-29(40)24-9-13-27(14-10-24)38-17-15-37(16-18-38)20-25-5-3-4-6-28(25)23-7-11-26(32)12-8-23/h3-14,19H,15-18,20H2,1-2H3,(H,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	48.1	-41.8	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185592 (US9156856, 1 | US9493431, 1) Show SMILES COC1(CC2CCCCC2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1cc(c(N[C@H](CCN(C)C)CSc2ccccc2)s1)[N+]([O-])=O Show InChI InChI=1S/C36H49N5O6S3/c1-39(2)21-18-29(26-48-31-12-8-5-9-13-31)37-35-32(41(43)44)24-33(49-35)50(45,46)38-34(42)28-14-16-30(17-15-28)40-22-19-36(47-3,20-23-40)25-27-10-6-4-7-11-27/h5,8-9,12-17,24,27,29,37H,4,6-7,10-11,18-23,25-26H2,1-3H3,(H,38,42)/t29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	51.4	-41.6	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185594 (US9156856, 3 | US9493431, 3) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1sc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-[#6]-1 Show InChI InChI=1S/C42H46N6O5S3/c1-45(2)24-22-35(31-54-37-16-10-5-11-17-37)43-42-39(48(50)51)30-40(55-42)56(52,53)44-41(49)34-18-20-36(21-19-34)47-28-26-46(27-29-47)25-23-38(32-12-6-3-7-13-32)33-14-8-4-9-15-33/h3-21,23,30,35,43H,22,24-29,31H2,1-2H3,(H,44,49)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	51.7	-41.6	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185593 (US9156856, 2 | US9493431, 2) Show SMILES COC1(Cc2cccc(C)c2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1cc(c(N[C@H](CCN(C)C)CSc2ccccc2)s1)[N+]([O-])=O Show InChI InChI=1S/C37H45N5O6S3/c1-27-9-8-10-28(23-27)25-37(48-4)18-21-41(22-19-37)31-15-13-29(14-16-31)35(43)39-51(46,47)34-24-33(42(44)45)36(50-34)38-30(17-20-40(2)3)26-49-32-11-6-5-7-12-32/h5-16,23-24,30,38H,17-22,25-26H2,1-4H3,(H,39,43)/t30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	82.9	-40.4	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185608 (US9156856, 18 | US9493431, 18) Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C31H27ClN4O3S2/c32-25-13-9-22(10-14-25)27-6-2-1-5-24(27)21-35-17-19-36(20-18-35)26-15-11-23(12-16-26)30(37)34-41(38,39)31-33-28-7-3-4-8-29(28)40-31/h1-16H,17-21H2,(H,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	129	-39.3	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185620 (US9156856, 31 | US9493431, 31) Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(o1)-c1ccno1 Show InChI InChI=1S/C31H27ClN4O5S/c32-25-9-5-22(6-10-25)27-4-2-1-3-24(27)21-35-17-19-36(20-18-35)26-11-7-23(8-12-26)31(37)34-42(38,39)30-14-13-28(40-30)29-15-16-33-41-29/h1-16H,17-21H2,(H,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	139	-39.1	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185595 (US9156856, 5 | US9493431, 5) Show SMILES CC(=O)N(CCSc1ccccc1)C1CCN(CC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C39H44ClN5O4S2/c1-30(46)45(27-28-50-37-8-3-2-4-9-37)36-19-21-44(22-20-36)51(48,49)41-39(47)32-13-17-35(18-14-32)43-25-23-42(24-26-43)29-33-7-5-6-10-38(33)31-11-15-34(40)16-12-31/h2-18,36H,19-29H2,1H3,(H,41,47)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	176	-38.5	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185601 (US9156856, 11 | US9493431, 11) Show SMILES CC(=O)Nc1nc(C)c(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C30H30ClN5O4S2/c1-20-29(41-30(32-20)33-21(2)37)42(39,40)34-28(38)23-9-13-26(14-10-23)36-17-15-35(16-18-36)19-24-5-3-4-6-27(24)22-7-11-25(31)12-8-22/h3-14H,15-19H2,1-2H3,(H,34,38)(H,32,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	177	-38.5	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185611 (US9156856, 22 | US9493431, 22) Show SMILES COC(=O)c1ccc(n1C)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C31H31ClN4O5S/c1-34-28(31(38)41-2)15-16-29(34)42(39,40)33-30(37)23-9-13-26(14-10-23)36-19-17-35(18-20-36)21-24-5-3-4-6-27(24)22-7-11-25(32)12-8-22/h3-16H,17-21H2,1-2H3,(H,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	188	-38.4	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185609 (US9156856, 19 | US9493431, 19) Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C28H26ClN3O3S2/c29-24-11-7-21(8-12-24)26-5-2-1-4-23(26)20-31-15-17-32(18-16-31)25-13-9-22(10-14-25)28(33)30-37(34,35)27-6-3-19-36-27/h1-14,19H,15-18,20H2,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	234	-37.8	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185619 (US9156856, 30 | US9493431, 30) Show SMILES [O-][N+](=O)c1cc(sc1N1CCCCC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C33H34ClN5O5S2/c34-27-12-8-24(9-13-27)29-7-3-2-6-26(29)23-36-18-20-37(21-19-36)28-14-10-25(11-15-28)32(40)35-46(43,44)31-22-30(39(41)42)33(45-31)38-16-4-1-5-17-38/h2-3,6-15,22H,1,4-5,16-21,23H2,(H,35,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	269	-37.5	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185605 (US9156856, 15 | US9493431, 15) Show SMILES Cc1nc(C)c(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C29H29ClN4O3S2/c1-20-29(38-21(2)31-20)39(36,37)32-28(35)23-9-13-26(14-10-23)34-17-15-33(16-18-34)19-24-5-3-4-6-27(24)22-7-11-25(30)12-8-22/h3-14H,15-19H2,1-2H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	282	-37.4	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185625 (US9156856, 36 | US9493431, 36) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1sc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1C(F)(F)F Show InChI InChI=1S/C36H38F3N5O5S3/c1-42(2)19-18-28(24-50-30-9-4-3-5-10-30)40-35-32(44(46)47)23-33(51-35)52(48,49)41-34(45)26-12-14-29(15-13-26)43-20-16-25(17-21-43)22-27-8-6-7-11-31(27)36(37,38)39/h3-15,22-23,28,40H,16-21,24H2,1-2H3,(H,41,45)/t28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	294	-37.3	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185618 (US9156856, 29 | US9493431, 29) Show SMILES Cc1nn(C)c(Cl)c1S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C29H29Cl2N5O3S/c1-20-27(28(31)34(2)32-20)40(38,39)33-29(37)22-9-13-25(14-10-22)36-17-15-35(16-18-36)19-23-5-3-4-6-26(23)21-7-11-24(30)12-8-21/h3-14H,15-19H2,1-2H3,(H,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	340	-36.9	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185613 (US9156856, 24 | US9493431, 24) Show SMILES Cc1nsc(c1Cl)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C28H26Cl2N4O3S2/c1-19-26(30)28(38-31-19)39(36,37)32-27(35)21-8-12-24(13-9-21)34-16-14-33(15-17-34)18-22-4-2-3-5-25(22)20-6-10-23(29)11-7-20/h2-13H,14-18H2,1H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	342	-36.9	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185607 (US9156856, 17 | US9493431, 17) Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C33H29ClFN3O3S2/c1-22-30-20-27(35)12-15-31(30)42-33(22)43(40,41)36-32(39)24-8-13-28(14-9-24)38-18-16-37(17-19-38)21-25-4-2-3-5-29(25)23-6-10-26(34)11-7-23/h2-15,20H,16-19,21H2,1H3,(H,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	356	-36.8	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185614 (US9156856, 25 | US9493431, 25) Show SMILES Cc1c(sc2ccc(Br)cc12)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C33H29BrClN3O3S2/c1-22-30-20-26(34)10-15-31(30)42-33(22)43(40,41)36-32(39)24-8-13-28(14-9-24)38-18-16-37(17-19-38)21-25-4-2-3-5-29(25)23-6-11-27(35)12-7-23/h2-15,20H,16-19,21H2,1H3,(H,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	372	-36.7	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185603 (US9156856, 13 | US9493431, 13) Show SMILES Clc1nc2sccn2c1S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C29H25Cl2N5O3S2/c30-23-9-5-20(6-10-23)25-4-2-1-3-22(25)19-34-13-15-35(16-14-34)24-11-7-21(8-12-24)27(37)33-41(38,39)28-26(31)32-29-36(28)17-18-40-29/h1-12,17-18H,13-16,19H2,(H,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	388	-36.6	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185602 (US9156856, 12 | US9493431, 12) Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1 Show InChI InChI=1S/C36H33ClN4O4S2/c37-30-14-10-26(11-15-30)33-9-5-4-8-29(33)25-40-20-22-41(23-21-40)31-16-12-28(13-17-31)36(43)39-47(44,45)34-19-18-32(46-34)24-38-35(42)27-6-2-1-3-7-27/h1-19H,20-25H2,(H,38,42)(H,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	393	-36.6	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185615 (US9156856, 26 | US9493431, 26) Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(\C=C\c2ncon2)s1 Show InChI InChI=1S/C32H28ClN5O4S2/c33-26-9-5-23(6-10-26)29-4-2-1-3-25(29)21-37-17-19-38(20-18-37)27-11-7-24(8-12-27)32(39)36-44(40,41)31-16-14-28(43-31)13-15-30-34-22-42-35-30/h1-16,22H,17-21H2,(H,36,39)/b15-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	393	-36.6	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185604 (US9156856, 14 | US9493431, 14) Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C28H31ClN4O4S/c29-25-9-5-22(6-10-25)27-4-2-1-3-24(27)21-31-13-15-32(16-14-31)26-11-7-23(8-12-26)28(34)30-38(35,36)33-17-19-37-20-18-33/h1-12H,13-21H2,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	409	-36.5	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185617 (US9156856, 28 | US9493431, 28) Show SMILES CCC(CC)NC(=O)c1nnc(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C32H35ClN6O4S2/c1-3-26(4-2)34-30(41)31-35-36-32(44-31)45(42,43)37-29(40)23-11-15-27(16-12-23)39-19-17-38(18-20-39)21-24-7-5-6-8-28(24)22-9-13-25(33)14-10-22/h5-16,26H,3-4,17-21H2,1-2H3,(H,34,41)(H,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	417	-36.4	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185616 (US9156856, 27 | US9493431, 27) Show SMILES Cc1nn(CCCl)c(C)c1S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C31H33Cl2N5O3S/c1-22-30(23(2)38(34-22)16-15-32)42(40,41)35-31(39)25-9-13-28(14-10-25)37-19-17-36(18-20-37)21-26-5-3-4-6-29(26)24-7-11-27(33)12-8-24/h3-14H,15-21H2,1-2H3,(H,35,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	434	-36.3	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185621 (US9156856, 32 | US9493431, 32) Show SMILES Cc1noc(C)c1S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C29H29ClN4O4S/c1-20-28(21(2)38-31-20)39(36,37)32-29(35)23-9-13-26(14-10-23)34-17-15-33(16-18-34)19-24-5-3-4-6-27(24)22-7-11-25(30)12-8-22/h3-14H,15-19H2,1-2H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	438	-36.3	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185612 (US9156856, 23 | US9493431, 23) Show SMILES Cc1cc(-c2oncc2S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)n(C)n1 Show InChI InChI=1S/C32H31ClN6O4S/c1-22-19-29(37(2)35-22)31-30(20-34-43-31)44(41,42)36-32(40)24-9-13-27(14-10-24)39-17-15-38(16-18-39)21-25-5-3-4-6-28(25)23-7-11-26(33)12-8-23/h3-14,19-20H,15-18,21H2,1-2H3,(H,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	447	-36.2	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185596 (US9156856, 6 | US9493431, 6) Show SMILES CN(CCSc1ccccc1)C1CCN(CC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C38H44ClN5O3S2/c1-41(27-28-48-36-8-3-2-4-9-36)34-19-21-44(22-20-34)49(46,47)40-38(45)31-13-17-35(18-14-31)43-25-23-42(24-26-43)29-32-7-5-6-10-37(32)30-11-15-33(39)16-12-30/h2-18,34H,19-29H2,1H3,(H,40,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	704	-35.1	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM185600 (US9156856, 10 | US9493431, 10) Show SMILES CC(=O)\N=c1/sc(nn1C)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C29H29ClN6O4S2/c1-20(37)31-28-34(2)32-29(41-28)42(39,40)33-27(38)22-9-13-25(14-10-22)36-17-15-35(16-18-36)19-23-5-3-4-6-26(23)21-7-11-24(30)12-8-21/h3-14H,15-19H2,1-2H3,(H,33,38)/b31-28-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	743	-35.0	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9156856 (2015) BindingDB Entry DOI: 10.7270/Q2125RFF
					More data for this Ligand-Target Pair