Compile Data Set for Download or QSAR

Found 1030 hits of ki data for polymerid = 3744   

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))	BDBM209097 (US9266877, 43) Show SMILES Cc1c(cnn1CC1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C34H34N6O3S/c1-21-26(18-35-40(21)19-22-8-3-2-4-9-22)24-14-15-30(37-31(24)33(42)43)39-17-16-23-10-7-11-25(27(23)20-39)32(41)38-34-36-28-12-5-6-13-29(28)44-34/h5-7,10-15,18,22H,2-4,8-9,16-17,19-20H2,1H3,(H,42,43)(H,36,38,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50030752 (CHEMBL3342333) Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1F Show InChI InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-9-23-14-15-24(20-27(23)36)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-22-8-5-10-25(26(22)21-41)32(42)39-34-37-28-11-3-4-12-29(28)46-34/h3-5,8,10-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay				ACS Med Chem Lett 5: 1088-93 (2014) Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50030754 (CHEMBL3342332) Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(F)c1 Show InChI InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay				ACS Med Chem Lett 5: 1088-93 (2014) Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50030757 (CHEMBL3342196) Show SMILES CN1CCN(CCCNc2ncnc3n(ncc23)-c2ccc(OCCCc3sc(nc3C(O)=O)N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)cc2)CC1 Show InChI InChI=1S/C43H45N11O4S2/c1-51-20-22-52(23-21-51)18-6-17-44-38-32-25-47-54(39(32)46-27-45-38)29-12-14-30(15-13-29)58-24-5-11-36-37(41(56)57)49-43(60-36)53-19-16-28-7-4-8-31(33(28)26-53)40(55)50-42-48-34-9-2-3-10-35(34)59-42/h2-4,7-10,12-15,25,27H,5-6,11,16-24,26H2,1H3,(H,56,57)(H,44,45,46)(H,48,50,55)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay				ACS Med Chem Lett 5: 1088-93 (2014) Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50030758 (CHEMBL3342195) Show SMILES CN(C)CCCNc1ncnc2n(ncc12)-c1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1 Show InChI InChI=1S/C40H40N10O4S2/c1-48(2)19-7-18-41-35-29-22-44-50(36(29)43-24-42-35)26-13-15-27(16-14-26)54-21-6-12-33-34(38(52)53)46-40(56-33)49-20-17-25-8-5-9-28(30(25)23-49)37(51)47-39-45-31-10-3-4-11-32(31)55-39/h3-5,8-11,13-16,22,24H,6-7,12,17-21,23H2,1-2H3,(H,52,53)(H,41,42,43)(H,45,47,51)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay				ACS Med Chem Lett 5: 1088-93 (2014) Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50561528 (CHEMBL4762875) Show SMILES COC12CC3CC(CC(Cn4ncc(c4C)-c4ccc(nc4C(O)=O)N4CCc5cccc(C(=O)Nc6nc7ccccc7s6)c5C4)(C3)C1)C2 |TLB:1:2:5.4.47:7,5:6:4.3.47:48,THB:5:4:6.49.7:48,3:4:7:49.2.48,3:2:5.4.47:7| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50162797 (CHEMBL3793424) Show SMILES Cc1c(cnn1CC12CC3CC(CC(C3)C1)C2)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |TLB:14:9:16:12.13.15,14:13:16:10.9.8,THB:12:11:8:14.13.15,12:13:10.11.16:8| Show InChI InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to Bcl-XL (unknown origin) by FRET assay				Bioorg Med Chem Lett 26: 2105-14 (2016) Article DOI: 10.1016/j.bmcl.2016.03.032 BindingDB Entry DOI: 10.7270/Q23F4RK8
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50030754 (CHEMBL3342332) Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(F)c1 Show InChI InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to Bcl-XL (unknown origin) by FRET assay				Bioorg Med Chem Lett 26: 2105-14 (2016) Article DOI: 10.1016/j.bmcl.2016.03.032 BindingDB Entry DOI: 10.7270/Q23F4RK8
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50162797 (CHEMBL3793424) Show SMILES Cc1c(cnn1CC12CC3CC(CC(C3)C1)C2)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |TLB:14:9:16:12.13.15,14:13:16:10.9.8,THB:12:11:8:14.13.15,12:13:10.11.16:8| Show InChI InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of Bcl-xL (unknown origin)				Eur J Med Chem 177: 63-75 (2019) Article DOI: 10.1016/j.ejmech.2019.05.019 BindingDB Entry DOI: 10.7270/Q2R78JMK
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50162797 (CHEMBL3793424) Show SMILES Cc1c(cnn1CC12CC3CC(CC(C3)C1)C2)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |TLB:14:9:16:12.13.15,14:13:16:10.9.8,THB:12:11:8:14.13.15,12:13:10.11.16:8| Show InChI InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50030759 (CHEMBL3342194) Show SMILES OC(=O)c1nc(sc1CCCOc1ccc(cc1)-n1cccn1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C33H28N6O4S2/c40-30(37-32-35-26-8-1-2-9-27(26)44-32)24-7-3-6-21-15-18-38(20-25(21)24)33-36-29(31(41)42)28(45-33)10-4-19-43-23-13-11-22(12-14-23)39-17-5-16-34-39/h1-3,5-9,11-14,16-17H,4,10,15,18-20H2,(H,41,42)(H,35,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay				ACS Med Chem Lett 5: 1088-93 (2014) Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50030756 (CHEMBL3342197) Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1 Show InChI InChI=1S/C35H33N5O4S2/c1-39(2)19-6-8-23-14-16-25(17-15-23)44-21-7-13-30-31(33(42)43)37-35(46-30)40-20-18-24-9-5-10-26(27(24)22-40)32(41)38-34-36-28-11-3-4-12-29(28)45-34/h3-5,9-12,14-17H,7,13,18-22H2,1-2H3,(H,42,43)(H,36,38,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay				ACS Med Chem Lett 5: 1088-93 (2014) Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209074 (US9266877, 20) Show SMILES Cc1c(cnn1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C34H28N6O3S/c1-21-26(18-35-40(21)19-22-8-3-2-4-9-22)24-14-15-30(37-31(24)33(42)43)39-17-16-23-10-7-11-25(27(23)20-39)32(41)38-34-36-28-12-5-6-13-29(28)44-34/h2-15,18H,16-17,19-20H2,1H3,(H,42,43)(H,36,38,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50030757 (CHEMBL3342196) Show SMILES CN1CCN(CCCNc2ncnc3n(ncc23)-c2ccc(OCCCc3sc(nc3C(O)=O)N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)cc2)CC1 Show InChI InChI=1S/C43H45N11O4S2/c1-51-20-22-52(23-21-51)18-6-17-44-38-32-25-47-54(39(32)46-27-45-38)29-12-14-30(15-13-29)58-24-5-11-36-37(41(56)57)49-43(60-36)53-19-16-28-7-4-8-31(33(28)26-53)40(55)50-42-48-34-9-2-3-10-35(34)59-42/h2-4,7-10,12-15,25,27H,5-6,11,16-24,26H2,1H3,(H,56,57)(H,44,45,46)(H,48,50,55)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay				ACS Med Chem Lett 5: 1088-93 (2014) Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50030751 (CHEMBL3342334) Show SMILES CN(C)CC#Cc1cc(F)c(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1F Show InChI InChI=1S/C35H31F2N5O4S2/c1-41(2)15-6-9-22-18-26(37)28(19-25(22)36)46-17-7-13-30-31(33(44)45)39-35(48-30)42-16-14-21-8-5-10-23(24(21)20-42)32(43)40-34-38-27-11-3-4-12-29(27)47-34/h3-5,8,10-12,18-19H,7,13-17,20H2,1-2H3,(H,44,45)(H,38,40,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay				ACS Med Chem Lett 5: 1088-93 (2014) Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43
					More data for this Ligand-Target Pair
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))	BDBM50030755 (CHEMBL3342198) Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(Cl)c1 Show InChI InChI=1S/C35H32ClN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay				ACS Med Chem Lett 5: 1088-93 (2014) Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM139051 (US8883784, 12) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C40H38F3N7O6S5/c1-49(2)19-18-26(23-57-27-10-4-3-5-11-27)44-32-16-15-28(21-35(32)60(53,54)40(41,42)43)61(55,56)48-37(52)33-24-58-39(46-33)50-20-17-25-9-8-12-29(30(25)22-50)36(51)47-38-45-31-13-6-7-14-34(31)59-38/h3-16,21,24,26,44H,17-20,22-23H2,1-2H3,(H,48,52)(H,45,47,51)/t26-/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	0.0400	-59.3	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US8883784 (2014) BindingDB Entry DOI: 10.7270/Q2GT5KWT
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50030761 (CHEMBL3342192) Show SMILES OC(=O)c1nc(sc1CCCOc1ccc(cc1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C35H28N8O4S2/c44-32(41-34-39-27-7-1-2-8-28(27)48-34)25-6-3-5-21-14-15-42(19-26(21)25)35-40-30(33(45)46)29(49-35)9-4-16-47-24-12-10-23(11-13-24)43-31-22(18-38-43)17-36-20-37-31/h1-3,5-8,10-13,17-18,20H,4,9,14-16,19H2,(H,45,46)(H,39,41,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay				ACS Med Chem Lett 5: 1088-93 (2014) Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209066 (US9266877, 12) Show SMILES Cc1nn(Cc2ccccc2)c(C)c1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |(4.85,3.64,;3.82,4.79,;4.14,6.29,;2.8,7.06,;2.64,8.59,;3.89,9.5,;3.73,11.03,;4.97,11.94,;6.38,11.31,;6.54,9.78,;5.3,8.87,;1.66,6.03,;.33,6.8,;2.29,4.62,;1.52,3.29,;2.29,1.96,;1.52,.62,;-.02,.62,;-.79,1.96,;-.02,3.29,;-.79,4.62,;-.02,5.96,;-2.33,4.62,;-.79,-.71,;-2.33,-.71,;-3.1,-2.04,;-2.33,-3.38,;-3.1,-4.71,;-2.33,-6.05,;-.79,-6.05,;-.02,-4.71,;1.52,-4.71,;2.29,-3.38,;2.29,-6.05,;3.83,-6.05,;4.73,-4.8,;6.2,-5.28,;7.53,-4.51,;8.86,-5.28,;8.86,-6.82,;7.53,-7.59,;6.2,-6.82,;4.73,-7.29,;-.79,-3.38,;-.02,-2.04,)| Show InChI InChI=1S/C35H30N6O3S/c1-21-31(22(2)41(39-21)19-23-9-4-3-5-10-23)26-15-16-30(37-32(26)34(43)44)40-18-17-24-11-8-12-25(27(24)20-40)33(42)38-35-36-28-13-6-7-14-29(28)45-35/h3-16H,17-20H2,1-2H3,(H,43,44)(H,36,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50030758 (CHEMBL3342195) Show SMILES CN(C)CCCNc1ncnc2n(ncc12)-c1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1 Show InChI InChI=1S/C40H40N10O4S2/c1-48(2)19-7-18-41-35-29-22-44-50(36(29)43-24-42-35)26-13-15-27(16-14-26)54-21-6-12-33-34(38(52)53)46-40(56-33)49-20-17-25-8-5-9-28(30(25)23-49)37(51)47-39-45-31-10-3-4-11-32(31)55-39/h3-5,8-11,13-16,22,24H,6-7,12,17-21,23H2,1-2H3,(H,52,53)(H,41,42,43)(H,45,47,51)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay				ACS Med Chem Lett 5: 1088-93 (2014) Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43
					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))	BDBM50270877 ((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...) Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/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	PDB Article PubMed	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-xL (unknown origin)				J Med Chem 61: 2636-2651 (2018) Article DOI: 10.1021/acs.jmedchem.7b00717 BindingDB Entry DOI: 10.7270/Q2ZK5K94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM139050 (US8883784, 11) Show SMILES CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1nc(sc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C41H40F3N7O6S4/c1-50(2)22-9-21-45-32-18-17-28(24-35(32)60(54,55)41(42,43)44)61(56,57)49-38(53)36-34(19-16-26-10-4-3-5-11-26)59-40(47-36)51-23-20-27-12-8-13-29(30(27)25-51)37(52)48-39-46-31-14-6-7-15-33(31)58-39/h3-8,10-15,17-18,24,45H,9,16,19-23,25H2,1-2H3,(H,49,53)(H,46,48,52)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0600	-58.3	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US8883784 (2014) BindingDB Entry DOI: 10.7270/Q2GT5KWT
					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))	BDBM50030754 (CHEMBL3342332) Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(F)c1 Show InChI InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay				ACS Med Chem Lett 5: 1088-93 (2014) Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209160 (US9266877, 106) Show SMILES OC(=O)c1nc(ccc1-c1cccc(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C36H28N4O3S/c41-34(39-36-37-30-14-4-5-15-31(30)44-36)28-13-7-11-25-18-19-40(22-29(25)28)32-17-16-27(33(38-32)35(42)43)26-12-6-10-24(21-26)20-23-8-2-1-3-9-23/h1-17,21H,18-20,22H2,(H,42,43)(H,37,39,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209170 (US9266877, 116) Show SMILES OC(=O)c1nc(ccc1-c1cccc(OC2CCCCC2)c1C#N)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C36H31N5O4S/c37-20-27-24(11-7-14-30(27)45-23-9-2-1-3-10-23)25-16-17-32(39-33(25)35(43)44)41-19-18-22-8-6-12-26(28(22)21-41)34(42)40-36-38-29-13-4-5-15-31(29)46-36/h4-8,11-17,23H,1-3,9-10,18-19,21H2,(H,43,44)(H,38,40,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209171 (US9266877, 117) Show SMILES OC(=O)c1nc(ccc1-c1cccc(OC2CCCCC2)c1Cl)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C35H31ClN4O4S/c36-31-23(11-7-14-28(31)44-22-9-2-1-3-10-22)24-16-17-30(38-32(24)34(42)43)40-19-18-21-8-6-12-25(26(21)20-40)33(41)39-35-37-27-13-4-5-15-29(27)45-35/h4-8,11-17,22H,1-3,9-10,18-20H2,(H,42,43)(H,37,39,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209173 (US9266877, 119) Show SMILES OC(=O)c1nc(ccc1-c1cccc(OC2CCCCC2)c1F)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C35H31FN4O4S/c36-31-23(11-7-14-28(31)44-22-9-2-1-3-10-22)24-16-17-30(38-32(24)34(42)43)40-19-18-21-8-6-12-25(26(21)20-40)33(41)39-35-37-27-13-4-5-15-29(27)45-35/h4-8,11-17,22H,1-3,9-10,18-20H2,(H,42,43)(H,37,39,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209175 (US9266877, 121) Show SMILES Cc1c(OC2CCCC(C)(C)C2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C38H38N4O4S/c1-23-26(11-7-14-31(23)46-25-10-8-19-38(2,3)21-25)27-16-17-33(40-34(27)36(44)45)42-20-18-24-9-6-12-28(29(24)22-42)35(43)41-37-39-30-13-4-5-15-32(30)47-37/h4-7,9,11-17,25H,8,10,18-22H2,1-3H3,(H,44,45)(H,39,41,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209177 (US9266877, 123) Show SMILES CCOC(=O)c1cc(c(C)n1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C38H33N5O5S/c1-3-48-37(47)31-20-28(23(2)43(31)21-24-10-5-4-6-11-24)26-16-17-33(40-34(26)36(45)46)42-19-18-25-12-9-13-27(29(25)22-42)35(44)41-38-39-30-14-7-8-15-32(30)49-38/h4-17,20H,3,18-19,21-22H2,1-2H3,(H,45,46)(H,39,41,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209178 (US9266877, 124) Show SMILES Cc1c(cc(C(O)=O)n1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C36H29N5O5S/c1-21-26(18-29(34(43)44)41(21)19-22-8-3-2-4-9-22)24-14-15-31(38-32(24)35(45)46)40-17-16-23-10-7-11-25(27(23)20-40)33(42)39-36-37-28-12-5-6-13-30(28)47-36/h2-15,18H,16-17,19-20H2,1H3,(H,43,44)(H,45,46)(H,37,39,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209183 (US9266877, 129) Show SMILES Cc1c(cc(C#N)n1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C36H28N6O3S/c1-22-28(18-25(19-37)42(22)20-23-8-3-2-4-9-23)26-14-15-32(39-33(26)35(44)45)41-17-16-24-10-7-11-27(29(24)21-41)34(43)40-36-38-30-12-5-6-13-31(30)46-36/h2-15,18H,16-17,20-21H2,1H3,(H,44,45)(H,38,40,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209184 (US9266877, 130) Show SMILES Cc1c(cc(C#N)n1CC1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C36H34N6O3S/c1-22-28(18-25(19-37)42(22)20-23-8-3-2-4-9-23)26-14-15-32(39-33(26)35(44)45)41-17-16-24-10-7-11-27(29(24)21-41)34(43)40-36-38-30-12-5-6-13-31(30)46-36/h5-7,10-15,18,23H,2-4,8-9,16-17,20-21H2,1H3,(H,44,45)(H,38,40,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209185 (US9266877, 131) Show SMILES CC1CCC(CC1(Cn1ccc(c1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1)N1CCCCC1)C#N Show InChI InChI=1S/C41H43N7O3S/c1-27-12-13-28(23-42)22-41(27,48-18-5-2-6-19-48)26-46-20-16-30(24-46)31-14-15-36(44-37(31)39(50)51)47-21-17-29-8-7-9-32(33(29)25-47)38(49)45-40-43-34-10-3-4-11-35(34)52-40/h3-4,7-11,14-16,20,24,27-28H,2,5-6,12-13,17-19,21-22,25-26H2,1H3,(H,50,51)(H,43,45,49)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209188 (US9266877, 134) Show SMILES COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1 Show InChI InChI=1S/C38H42N6O4S/c1-25-29(22-39-44(25)24-38(19-21-48-2)17-7-3-4-8-18-38)27-14-15-33(41-34(27)36(46)47)43-20-16-26-10-9-11-28(30(26)23-43)35(45)42-37-40-31-12-5-6-13-32(31)49-37/h5-6,9-15,22H,3-4,7-8,16-21,23-24H2,1-2H3,(H,46,47)(H,40,42,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209192 (US9266877, 138) Show SMILES Cc1c(OC2CCCCC2)nccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C35H33N5O4S/c1-21-24(16-18-36-33(21)44-23-9-3-2-4-10-23)25-14-15-30(38-31(25)34(42)43)40-19-17-22-8-7-11-26(27(22)20-40)32(41)39-35-37-28-12-5-6-13-29(28)45-35/h5-8,11-16,18,23H,2-4,9-10,17,19-20H2,1H3,(H,42,43)(H,37,39,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209197 (US9266877, 143) Show SMILES CN(c1ccccc1)c1nccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C36H30N6O3S/c1-22-25(17-19-37-33(22)41(2)24-10-4-3-5-11-24)26-15-16-31(39-32(26)35(44)45)42-20-18-23-9-8-12-27(28(23)21-42)34(43)40-36-38-29-13-6-7-14-30(29)46-36/h3-17,19H,18,20-21H2,1-2H3,(H,44,45)(H,38,40,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209198 (US9266877, 144) Show SMILES COCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1 Show InChI InChI=1S/C36H38N6O4S/c1-23-27(19-37-42(23)21-36(22-46-2)16-6-3-7-17-36)25-13-14-31(39-32(25)34(44)45)41-18-15-24-9-8-10-26(28(24)20-41)33(43)40-35-38-29-11-4-5-12-30(29)47-35/h4-5,8-14,19H,3,6-7,15-18,20-22H2,1-2H3,(H,44,45)(H,38,40,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209199 (US9266877, 145) Show SMILES Cc1c(cnn1CC1(CCCC(C)(C)C1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C40H45N7O4S/c1-26-30(22-41-47(26)25-40(46-18-20-51-21-19-46)16-7-15-39(2,3)24-40)28-12-13-34(43-35(28)37(49)50)45-17-14-27-8-6-9-29(31(27)23-45)36(48)44-38-42-32-10-4-5-11-33(32)52-38/h4-6,8-13,22H,7,14-21,23-25H2,1-3H3,(H,49,50)(H,42,44,48)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209200 (US9266877, 146) Show SMILES COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1 Show InChI InChI=1S/C39H44N6O4S/c1-25-29(21-40-45(25)24-39(18-20-49-4)17-8-16-38(2,3)23-39)27-13-14-33(42-34(27)36(47)48)44-19-15-26-9-7-10-28(30(26)22-44)35(46)43-37-41-31-11-5-6-12-32(31)50-37/h5-7,9-14,21H,8,15-20,22-24H2,1-4H3,(H,47,48)(H,41,43,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209201 (US9266877, 147) Show SMILES COCCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1 Show InChI InChI=1S/C39H44N6O4S/c1-26-30(23-40-45(26)25-39(20-10-22-49-2)18-7-3-4-8-19-39)28-15-16-34(42-35(28)37(47)48)44-21-17-27-11-9-12-29(31(27)24-44)36(46)43-38-41-32-13-5-6-14-33(32)50-38/h5-6,9,11-16,23H,3-4,7-8,10,17-22,24-25H2,1-2H3,(H,47,48)(H,41,43,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209202 (US9266877, 148) Show SMILES COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(=O)NS(C)(=O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1 Show InChI InChI=1S/C39H45N7O5S2/c1-26-30(23-40-46(26)25-39(20-22-51-2)18-8-4-5-9-19-39)28-15-16-34(42-35(28)37(48)44-53(3,49)50)45-21-17-27-11-10-12-29(31(27)24-45)36(47)43-38-41-32-13-6-7-14-33(32)52-38/h6-7,10-16,23H,4-5,8-9,17-22,24-25H2,1-3H3,(H,44,48)(H,41,43,47)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209205 (US9266877, 151) Show SMILES COCCOC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1 Show InChI InChI=1S/C38H42N6O5S/c1-25-29(22-39-44(25)24-38(49-21-20-48-2)17-7-3-4-8-18-38)27-14-15-33(41-34(27)36(46)47)43-19-16-26-10-9-11-28(30(26)23-43)35(45)42-37-40-31-12-5-6-13-32(31)50-37/h5-6,9-15,22H,3-4,7-8,16-21,23-24H2,1-2H3,(H,46,47)(H,40,42,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209206 (US9266877, 152) Show SMILES Cc1c(cnn1C(CCN1CCOCC1)C1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C40H45N7O4S/c1-26-31(24-41-47(26)34(28-8-3-2-4-9-28)17-18-45-20-22-51-23-21-45)29-14-15-36(43-37(29)39(49)50)46-19-16-27-10-7-11-30(32(27)25-46)38(48)44-40-42-33-12-5-6-13-35(33)52-40/h5-7,10-15,24,28,34H,2-4,8-9,16-23,25H2,1H3,(H,49,50)(H,42,44,48)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209208 (US9266877, 154) Show SMILES Cc1c(cnn1CC1CCCCO1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C33H32N6O4S/c1-20-25(17-34-39(20)18-22-8-4-5-16-43-22)23-12-13-29(36-30(23)32(41)42)38-15-14-21-7-6-9-24(26(21)19-38)31(40)37-33-35-27-10-2-3-11-28(27)44-33/h2-3,6-7,9-13,17,22H,4-5,8,14-16,18-19H2,1H3,(H,41,42)(H,35,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209209 (US9266877, 155) Show SMILES Cc1c(cnn1CC1(CCCCCC1)OCCCN1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C42H49N7O5S/c1-29-33(26-43-49(29)28-42(17-6-2-3-7-18-42)54-23-9-19-47-21-24-53-25-22-47)31-14-15-37(45-38(31)40(51)52)48-20-16-30-10-8-11-32(34(30)27-48)39(50)46-41-44-35-12-4-5-13-36(35)55-41/h4-5,8,10-15,26H,2-3,6-7,9,16-25,27-28H2,1H3,(H,51,52)(H,44,46,50)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209211 (US9266877, 157) Show SMILES COC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1 Show InChI InChI=1S/C37H40N6O4S/c1-23-27(19-38-43(23)22-37(47-4)17-8-16-36(2,3)21-37)25-13-14-31(40-32(25)34(45)46)42-18-15-24-9-7-10-26(28(24)20-42)33(44)41-35-39-29-11-5-6-12-30(29)48-35/h5-7,9-14,19H,8,15-18,20-22H2,1-4H3,(H,45,46)(H,39,41,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair

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