Compile Data Set for Download or QSAR

Found 555 hits with Last Name = 'hamilton' and Initial = 'ad'   

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))	BDBM31406 (terphenyl scaffold, 14) Show SMILES CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1cccc2ccccc12)-c1ccc(CCC(O)=O)cc1CC(C)C Show InChI InChI=1S/C42H44O5/c1-27(2)20-34-22-29(13-19-41(43)44)12-16-38(34)32-14-17-39(33-15-18-40(47-26-42(45)46)36(25-33)21-28(3)4)35(24-32)23-31-10-7-9-30-8-5-6-11-37(30)31/h5-12,14-18,22,24-25,27-28H,13,19-21,23,26H2,1-4H3,(H,43,44)(H,45,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	114	-39.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 10191-6 (2005) Article DOI: 10.1021/ja050122x BindingDB Entry DOI: 10.7270/Q2668BHF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31373 (CHEMBL28137 | terephthalamide scaffold, 9) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C24H38N2O5/c1-14(2)12-20(24(29)30-9)25-22(27)19-11-10-18(13-21(19)31-17(7)8)23(28)26(15(3)4)16(5)6/h10-11,13-17,20H,12H2,1-9H3,(H,25,27)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	780	-34.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31373 (CHEMBL28137 | terephthalamide scaffold, 9) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C24H38N2O5/c1-14(2)12-20(24(29)30-9)25-22(27)19-11-10-18(13-21(19)31-17(7)8)23(28)26(15(3)4)16(5)6/h10-11,13-17,20H,12H2,1-9H3,(H,25,27)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	781	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide				Bioorg Med Chem Lett 14: 1375-9 (2004) Article DOI: 10.1016/j.bmcl.2003.09.096 BindingDB Entry DOI: 10.7270/Q2D799V3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31374 (CHEMBL286715 | terephthalamide scaffold, 10) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O |r| Show InChI InChI=1S/C23H36N2O5/c1-13(2)11-19(23(28)29)24-21(26)18-10-9-17(12-20(18)30-16(7)8)22(27)25(14(3)4)15(5)6/h9-10,12-16,19H,11H2,1-8H3,(H,24,26)(H,28,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	839	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide				Bioorg Med Chem Lett 14: 1375-9 (2004) Article DOI: 10.1016/j.bmcl.2003.09.096 BindingDB Entry DOI: 10.7270/Q2D799V3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31374 (CHEMBL286715 | terephthalamide scaffold, 10) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O |r| Show InChI InChI=1S/C23H36N2O5/c1-13(2)11-19(23(28)29)24-21(26)18-10-9-17(12-20(18)30-16(7)8)22(27)25(14(3)4)15(5)6/h9-10,12-16,19H,11H2,1-8H3,(H,24,26)(H,28,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	840	-34.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31381 (CHEMBL282624 | terephthalamide scaffold, 29) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1ccccc1)C(=O)N(C(C)C)C(C)C)C(O)=O |r| Show InChI InChI=1S/C26H34N2O5/c1-16(2)14-22(26(31)32)27-24(29)21-13-12-19(25(30)28(17(3)4)18(5)6)15-23(21)33-20-10-8-7-9-11-20/h7-13,15-18,22H,14H2,1-6H3,(H,27,29)(H,31,32)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	-34.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31381 (CHEMBL282624 | terephthalamide scaffold, 29) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1ccccc1)C(=O)N(C(C)C)C(C)C)C(O)=O |r| Show InChI InChI=1S/C26H34N2O5/c1-16(2)14-22(26(31)32)27-24(29)21-13-12-19(25(30)28(17(3)4)18(5)6)15-23(21)33-20-10-8-7-9-11-20/h7-13,15-18,22H,14H2,1-6H3,(H,27,29)(H,31,32)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide				Bioorg Med Chem Lett 14: 1375-9 (2004) Article DOI: 10.1016/j.bmcl.2003.09.096 BindingDB Entry DOI: 10.7270/Q2D799V3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31379 (CHEMBL28872 | terephthalamide scaffold, 27) Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(cc1OC)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C22H34N2O5/c1-13(2)11-18(22(27)29-8)23-20(25)17-10-9-16(12-19(17)28-7)21(26)24(14(3)4)15(5)6/h9-10,12-15,18H,11H2,1-8H3,(H,23,25)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide				Bioorg Med Chem Lett 14: 1375-9 (2004) Article DOI: 10.1016/j.bmcl.2003.09.096 BindingDB Entry DOI: 10.7270/Q2D799V3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31379 (CHEMBL28872 | terephthalamide scaffold, 27) Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(cc1OC)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C22H34N2O5/c1-13(2)11-18(22(27)29-8)23-20(25)17-10-9-16(12-19(17)28-7)21(26)24(14(3)4)15(5)6/h9-10,12-15,18H,11H2,1-8H3,(H,23,25)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.79E+3	-32.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31408 (terphenyl scaffold, 16) Show SMILES CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1ccccc1)-c1ccc(CCC(O)=O)cc1CC(C)C Show InChI InChI=1S/C38H42O5/c1-25(2)18-31-21-28(11-17-37(39)40)10-14-34(31)29-12-15-35(32(22-29)20-27-8-6-5-7-9-27)30-13-16-36(43-24-38(41)42)33(23-30)19-26(3)4/h5-10,12-16,21-23,25-26H,11,17-20,24H2,1-4H3,(H,39,40)(H,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.82E+3	-32.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 10191-6 (2005) Article DOI: 10.1021/ja050122x BindingDB Entry DOI: 10.7270/Q2668BHF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31378 (CHEMBL284686 | terephthalamide scaffold, 26) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C22H34N2O5/c1-13(2)11-18(22(27)29-8)23-20(25)17-10-9-16(12-19(17)28-7)21(26)24(14(3)4)15(5)6/h9-10,12-15,18H,11H2,1-8H3,(H,23,25)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85E+3	-32.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31378 (CHEMBL284686 | terephthalamide scaffold, 26) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C22H34N2O5/c1-13(2)11-18(22(27)29-8)23-20(25)17-10-9-16(12-19(17)28-7)21(26)24(14(3)4)15(5)6/h9-10,12-15,18H,11H2,1-8H3,(H,23,25)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide				Bioorg Med Chem Lett 14: 1375-9 (2004) Article DOI: 10.1016/j.bmcl.2003.09.096 BindingDB Entry DOI: 10.7270/Q2D799V3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31407 (terphenyl scaffold, 15) Show SMILES CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1C(C)C)-c1ccc(CCC(O)=O)cc1CC(C)C Show InChI InChI=1S/C34H42O5/c1-21(2)15-27-17-24(8-14-33(35)36)7-11-29(27)26-9-12-30(31(19-26)23(5)6)25-10-13-32(39-20-34(37)38)28(18-25)16-22(3)4/h7,9-13,17-19,21-23H,8,14-16,20H2,1-6H3,(H,35,36)(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.09E+3	-32.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 10191-6 (2005) Article DOI: 10.1021/ja050122x BindingDB Entry DOI: 10.7270/Q2668BHF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31380 (terephthalamide scaffold, 28) Show SMILES COc1cc(ccc1C(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C21H32N2O5/c1-12(2)10-17(21(26)27)22-19(24)16-9-8-15(11-18(16)28-7)20(25)23(13(3)4)14(5)6/h8-9,11-14,17H,10H2,1-7H3,(H,22,24)(H,26,27)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.31E+3	-32.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31412 (terphenyl scaffold, 20) Show SMILES Cc1cc(CCC(O)=O)ccc1-c1cc(C)c(c(C)c1)-c1ccc(OCC(O)=O)c(Cc2ccccc2)c1 Show InChI InChI=1S/C33H32O5/c1-21-15-25(10-14-31(34)35)9-12-29(21)27-16-22(2)33(23(3)17-27)26-11-13-30(38-20-32(36)37)28(19-26)18-24-7-5-4-6-8-24/h4-9,11-13,15-17,19H,10,14,18,20H2,1-3H3,(H,34,35)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.34E+3	-32.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 10191-6 (2005) Article DOI: 10.1021/ja050122x BindingDB Entry DOI: 10.7270/Q2668BHF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31390 (terephthalamide scaffold, 37) Show SMILES CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)C(=O)OC)c(OC(C)C)c1 |r| Show InChI InChI=1S/C19H28N2O5/c1-7-21(8-2)18(23)14-9-10-15(16(11-14)26-12(3)4)17(22)20-13(5)19(24)25-6/h9-13H,7-8H2,1-6H3,(H,20,22)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.44E+3	-32.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31409 (terphenyl scaffold, 17) Show SMILES CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1ccc2ccccc2c1)-c1ccc(CCC(O)=O)cc1CC(C)C Show InChI InChI=1S/C42H44O5/c1-27(2)19-35-21-29(11-18-41(43)44)10-15-38(35)33-13-16-39(34-14-17-40(47-26-42(45)46)37(25-34)20-28(3)4)36(24-33)23-30-9-12-31-7-5-6-8-32(31)22-30/h5-10,12-17,21-22,24-25,27-28H,11,18-20,23,26H2,1-4H3,(H,43,44)(H,45,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	-32.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 10191-6 (2005) Article DOI: 10.1021/ja050122x BindingDB Entry DOI: 10.7270/Q2668BHF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31411 (terphenyl scaffold, 19) Show SMILES CC(C)Cc1cc(CCC(O)=O)ccc1-c1ccc(c(CC(C)C)c1)-c1ccc(OCC(O)=O)c(Cc2cccc3ccccc23)c1 Show InChI InChI=1S/C42H44O5/c1-27(2)20-34-22-29(13-19-41(43)44)12-16-38(34)32-14-17-39(35(23-32)21-28(3)4)33-15-18-40(47-26-42(45)46)36(25-33)24-31-10-7-9-30-8-5-6-11-37(30)31/h5-12,14-18,22-23,25,27-28H,13,19-21,24,26H2,1-4H3,(H,43,44)(H,45,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	-31.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 10191-6 (2005) Article DOI: 10.1021/ja050122x BindingDB Entry DOI: 10.7270/Q2668BHF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31410 (terphenyl scaffold, 18) Show SMILES CC(C)Cc1cc(CCC(O)=O)ccc1-c1ccc(c(Cc2ccccc2)c1)-c1ccc(OCC(O)=O)c(Cc2ccccc2)c1 Show InChI InChI=1S/C41H40O5/c1-28(2)21-34-23-31(14-20-40(42)43)13-17-37(34)32-15-18-38(35(25-32)22-29-9-5-3-6-10-29)33-16-19-39(46-27-41(44)45)36(26-33)24-30-11-7-4-8-12-30/h3-13,15-19,23,25-26,28H,14,20-22,24,27H2,1-2H3,(H,42,43)(H,44,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.73E+3	-31.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 10191-6 (2005) Article DOI: 10.1021/ja050122x BindingDB Entry DOI: 10.7270/Q2668BHF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31387 (terephthalamide scaffold, 34) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C)C |r| Show InChI InChI=1S/C20H30N2O5/c1-12(2)10-16(20(25)26-7)21-18(23)15-9-8-14(19(24)22(5)6)11-17(15)27-13(3)4/h8-9,11-13,16H,10H2,1-7H3,(H,21,23)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.14E+3	-31.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31420 (terphenyl scaffold, 28) Show SMILES CCc1cc(ccc1-c1cccc(Cc2ccccc2)c1)-c1ccc(OCC(O)=O)cc1C(C)C Show InChI InChI=1S/C32H32O3/c1-4-25-19-27(30-16-14-28(35-21-32(33)34)20-31(30)22(2)3)13-15-29(25)26-12-8-11-24(18-26)17-23-9-6-5-7-10-23/h5-16,18-20,22H,4,17,21H2,1-3H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.27E+3	-31.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 10191-6 (2005) Article DOI: 10.1021/ja050122x BindingDB Entry DOI: 10.7270/Q2668BHF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31385 (CHEMBL281240 | terephthalamide scaffold, 17) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1NC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O |r| Show InChI InChI=1S/C23H37N3O4/c1-13(2)11-20(23(29)30)25-21(27)18-10-9-17(12-19(18)24-14(3)4)22(28)26(15(5)6)16(7)8/h9-10,12-16,20,24H,11H2,1-8H3,(H,25,27)(H,29,30)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.31E+3	-31.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31385 (CHEMBL281240 | terephthalamide scaffold, 17) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1NC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O |r| Show InChI InChI=1S/C23H37N3O4/c1-13(2)11-20(23(29)30)25-21(27)18-10-9-17(12-19(18)24-14(3)4)22(28)26(15(5)6)16(7)8/h9-10,12-16,20,24H,11H2,1-8H3,(H,25,27)(H,29,30)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide				Bioorg Med Chem Lett 14: 1375-9 (2004) Article DOI: 10.1016/j.bmcl.2003.09.096 BindingDB Entry DOI: 10.7270/Q2D799V3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31419 (terphenyl scaffold, 27) Show SMILES CC(C)Cc1cc(OCC(O)=O)ccc1-c1ccc(c(CC(C)C)c1)-c1cccc(c1)C(C)C Show InChI InChI=1S/C31H38O3/c1-20(2)14-26-17-25(10-12-29(26)24-9-7-8-23(16-24)22(5)6)30-13-11-28(34-19-31(32)33)18-27(30)15-21(3)4/h7-13,16-18,20-22H,14-15,19H2,1-6H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.82E+3	-30.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 10191-6 (2005) Article DOI: 10.1021/ja050122x BindingDB Entry DOI: 10.7270/Q2668BHF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31376 (CHEMBL433422 | terephthalamide scaffold, 24) Show SMILES COC(=O)[C@@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)C(C)C |r| Show InChI InChI=1S/C23H36N2O5/c1-13(2)20(23(28)29-9)24-21(26)18-11-10-17(12-19(18)30-16(7)8)22(27)25(14(3)4)15(5)6/h10-16,20H,1-9H3,(H,24,26)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide				Bioorg Med Chem Lett 14: 1375-9 (2004) Article DOI: 10.1016/j.bmcl.2003.09.096 BindingDB Entry DOI: 10.7270/Q2D799V3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31376 (CHEMBL433422 | terephthalamide scaffold, 24) Show SMILES COC(=O)[C@@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)C(C)C |r| Show InChI InChI=1S/C23H36N2O5/c1-13(2)20(23(28)29-9)24-21(26)18-11-10-17(12-19(18)30-16(7)8)22(27)25(14(3)4)15(5)6/h10-16,20H,1-9H3,(H,24,26)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.85E+3	-29.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31421 (CHEMBL43232 | terphenyl scaffold, 29) Show SMILES CCc1cc(ccc1-c1cccc(Cc2cccc3ccccc23)c1)-c1ccc(OCC(O)=O)cc1C(C)C Show InChI InChI=1S/C36H34O3/c1-4-26-21-30(34-18-16-31(39-23-36(37)38)22-35(34)24(2)3)15-17-33(26)29-12-7-9-25(20-29)19-28-13-8-11-27-10-5-6-14-32(27)28/h5-18,20-22,24H,4,19,23H2,1-3H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.88E+3	-29.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 10191-6 (2005) Article DOI: 10.1021/ja050122x BindingDB Entry DOI: 10.7270/Q2668BHF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31383 (terephthalamide scaffold, 31) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1ccc2ccccc2c1)C(=O)N(C(C)C)C(C)C)C(O)=O |r| Show InChI InChI=1S/C30H36N2O5/c1-18(2)15-26(30(35)36)31-28(33)25-14-12-23(29(34)32(19(3)4)20(5)6)17-27(25)37-24-13-11-21-9-7-8-10-22(21)16-24/h7-14,16-20,26H,15H2,1-6H3,(H,31,33)(H,35,36)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.63E+3	-29.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50141117 ((S)-2-[4-Diisopropylcarbamoyl-2-(naphthalen-1-ylox...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1cccc2ccccc12)C(=O)N(C(C)C)C(C)C)C(O)=O Show InChI InChI=1S/C30H36N2O5/c1-18(2)16-25(30(35)36)31-28(33)24-15-14-22(29(34)32(19(3)4)20(5)6)17-27(24)37-26-13-9-11-21-10-7-8-12-23(21)26/h7-15,17-20,25H,16H2,1-6H3,(H,31,33)(H,35,36)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide				Bioorg Med Chem Lett 14: 1375-9 (2004) Article DOI: 10.1016/j.bmcl.2003.09.096 BindingDB Entry DOI: 10.7270/Q2D799V3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31386 (terephthalamide scaffold, 33) Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C)C |r| Show InChI InChI=1S/C17H24N2O5/c1-10(2)24-14-9-12(16(21)19(4)5)7-8-13(14)15(20)18-11(3)17(22)23-6/h7-11H,1-6H3,(H,18,20)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.34E+3	-29.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31393 (terephthalamide scaffold, 40) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)CC(C)C |r| Show InChI InChI=1S/C26H42N2O5/c1-16(2)12-22(26(31)32-9)27-24(29)21-11-10-20(13-23(21)33-19(7)8)25(30)28(14-17(3)4)15-18(5)6/h10-11,13,16-19,22H,12,14-15H2,1-9H3,(H,27,29)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.36E+3	-29.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31392 (terephthalamide scaffold, 39) Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)CC(C)C |r| Show InChI InChI=1S/C23H36N2O5/c1-14(2)12-25(13-15(3)4)22(27)18-9-10-19(20(11-18)30-16(5)6)21(26)24-17(7)23(28)29-8/h9-11,14-17H,12-13H2,1-8H3,(H,24,26)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.76E+3	-28.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31388 (terephthalamide scaffold, 35) Show SMILES CC(C)Oc1cc(ccc1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N(C)C |r| Show InChI InChI=1S/C22H26N2O5/c1-14(2)29-19-13-16(21(26)24(3)4)10-11-17(19)20(25)23-18(22(27)28)12-15-8-6-5-7-9-15/h5-11,13-14,18H,12H2,1-4H3,(H,23,25)(H,27,28)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.92E+3	-28.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31418 (terphenyl scaffold, 26) Show SMILES CC(C)c1cccc(c1)-c1ccc(cc1C)-c1ccc(OCC(O)=O)cc1C Show InChI InChI=1S/C25H26O3/c1-16(2)19-6-5-7-20(14-19)23-10-8-21(12-17(23)3)24-11-9-22(13-18(24)4)28-15-25(26)27/h5-14,16H,15H2,1-4H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.04E+4	-28.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 10191-6 (2005) Article DOI: 10.1021/ja050122x BindingDB Entry DOI: 10.7270/Q2668BHF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31377 (terephthalamide scaffold, 25) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C27H36N2O5/c1-17(2)29(18(3)4)26(31)21-13-14-22(24(16-21)34-19(5)6)25(30)28-23(27(32)33-7)15-20-11-9-8-10-12-20/h8-14,16-19,23H,15H2,1-7H3,(H,28,30)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.09E+4	-28.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50141118 ((S)-(4-Diisopropylcarbamoyl-2-isopropoxy-benzoylam...) Show SMILES COC(=O)[C@@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)c1ccccc1 Show InChI InChI=1S/C26H34N2O5/c1-16(2)28(17(3)4)25(30)20-13-14-21(22(15-20)33-18(5)6)24(29)27-23(26(31)32-7)19-11-9-8-10-12-19/h8-18,23H,1-7H3,(H,27,29)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide				Bioorg Med Chem Lett 14: 1375-9 (2004) Article DOI: 10.1016/j.bmcl.2003.09.096 BindingDB Entry DOI: 10.7270/Q2D799V3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31375 (CHEMBL28504 | terephthalamide scaffold, 23) Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C21H32N2O5/c1-12(2)23(13(3)4)20(25)16-9-10-17(18(11-16)28-14(5)6)19(24)22-15(7)21(26)27-8/h9-15H,1-8H3,(H,22,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide				Bioorg Med Chem Lett 14: 1375-9 (2004) Article DOI: 10.1016/j.bmcl.2003.09.096 BindingDB Entry DOI: 10.7270/Q2D799V3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31375 (CHEMBL28504 | terephthalamide scaffold, 23) Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C21H32N2O5/c1-12(2)23(13(3)4)20(25)16-9-10-17(18(11-16)28-14(5)6)19(24)22-15(7)21(26)27-8/h9-15H,1-8H3,(H,22,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	-28.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31391 (terephthalamide scaffold, 38) Show SMILES CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)OC)c(OC(C)C)c1 |r| Show InChI InChI=1S/C22H34N2O5/c1-8-24(9-2)21(26)16-10-11-17(19(13-16)29-15(5)6)20(25)23-18(12-14(3)4)22(27)28-7/h10-11,13-15,18H,8-9,12H2,1-7H3,(H,23,25)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.14E+4	-28.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31384 (terephthalamide scaffold, 32) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccc(cc1)[N+]([O-])=O)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C27H35N3O7/c1-16(2)14-23(27(33)36-7)28-25(31)22-13-8-19(26(32)29(17(3)4)18(5)6)15-24(22)37-21-11-9-20(10-12-21)30(34)35/h8-13,15-18,23H,14H2,1-7H3,(H,28,31)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.32E+4	-27.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31416 (terphenyl scaffold, 24) Show SMILES CC(C)Cc1cc(ccc1OCC[NH3+])-c1ccc(cc1C(C)C)-c1ccc(CCC[NH3+])cc1CC(C)C Show InChI InChI=1S/C34H48N2O/c1-23(2)18-29-20-26(8-7-15-35)9-12-31(29)28-10-13-32(33(22-28)25(5)6)27-11-14-34(37-17-16-36)30(21-27)19-24(3)4/h9-14,20-25H,7-8,15-19,35-36H2,1-6H3/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.36E+4	-27.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 10191-6 (2005) Article DOI: 10.1021/ja050122x BindingDB Entry DOI: 10.7270/Q2668BHF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31417 (terphenyl scaffold, 25) Show SMILES Cc1cccc(c1)-c1ccc(cc1C)-c1ccc(OCC(O)=O)cc1C Show InChI InChI=1S/C23H22O3/c1-15-5-4-6-18(11-15)21-9-7-19(12-16(21)2)22-10-8-20(13-17(22)3)26-14-23(24)25/h4-13H,14H2,1-3H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.82E+4	-27.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 10191-6 (2005) Article DOI: 10.1021/ja050122x BindingDB Entry DOI: 10.7270/Q2668BHF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31389 (CHEMBL29180 | terephthalamide scaffold, 36) Show SMILES COC(=O)CNC(=O)c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C13H16N2O4/c1-15(2)13(18)10-6-4-9(5-7-10)12(17)14-8-11(16)19-3/h4-7H,8H2,1-3H3,(H,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide				Bioorg Med Chem Lett 14: 1375-9 (2004) Article DOI: 10.1016/j.bmcl.2003.09.096 BindingDB Entry DOI: 10.7270/Q2D799V3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31422 (terphenyl scaffold, 30) Show SMILES OC(=O)COc1ccc(cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H16O3/c21-20(22)14-23-19-12-10-18(11-13-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+4	>-25.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 10191-6 (2005) Article DOI: 10.1021/ja050122x BindingDB Entry DOI: 10.7270/Q2668BHF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31413 (terphenyl scaffold, 21) Show SMILES Cc1cc(CCC(O)=O)ccc1-c1cc(C)c(c(CCC(O)=O)c1)-c1ccc(OCC(O)=O)c(Cc2ccccc2)c1 Show InChI InChI=1S/C35H34O7/c1-22-16-25(9-14-32(36)37)8-12-30(22)28-17-23(2)35(27(19-28)11-15-33(38)39)26-10-13-31(42-21-34(40)41)29(20-26)18-24-6-4-3-5-7-24/h3-8,10,12-13,16-17,19-20H,9,11,14-15,18,21H2,1-2H3,(H,36,37)(H,38,39)(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	>-25.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 10191-6 (2005) Article DOI: 10.1021/ja050122x BindingDB Entry DOI: 10.7270/Q2668BHF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31414 (terphenyl scaffold, 22) Show SMILES COC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccc(OCC(=O)OC)cc1 Show InChI InChI=1S/C25H24O5/c1-28-24(26)16-5-18-3-6-19(7-4-18)20-8-10-21(11-9-20)22-12-14-23(15-13-22)30-17-25(27)29-2/h3-4,6-15H,5,16-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+4	>-25.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 10191-6 (2005) Article DOI: 10.1021/ja050122x BindingDB Entry DOI: 10.7270/Q2668BHF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50141122 ((S)-2-[4-(1-Carboxy-3-methyl-butylcarbamoyl)-2-phe...) Show SMILES CC(C)CC(NC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(O)=O)c(Oc2ccccc2)c1)C(O)=O Show InChI InChI=1S/C26H32N2O7/c1-15(2)12-20(25(31)32)27-23(29)17-10-11-19(22(14-17)35-18-8-6-5-7-9-18)24(30)28-21(26(33)34)13-16(3)4/h5-11,14-16,20-21H,12-13H2,1-4H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t20?,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide				Bioorg Med Chem Lett 14: 1375-9 (2004) Article DOI: 10.1016/j.bmcl.2003.09.096 BindingDB Entry DOI: 10.7270/Q2D799V3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50141121 ((S)-2-{4-[(1-Carboxy-ethyl)-isobutyl-carbamoyl]-2-...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)C(C)C(O)=O)C(O)=O Show InChI InChI=1S/C24H36N2O7/c1-13(2)10-19(24(31)32)25-21(27)18-9-8-17(11-20(18)33-15(5)6)22(28)26(12-14(3)4)16(7)23(29)30/h8-9,11,13-16,19H,10,12H2,1-7H3,(H,25,27)(H,29,30)(H,31,32)/t16?,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide				Bioorg Med Chem Lett 14: 1375-9 (2004) Article DOI: 10.1016/j.bmcl.2003.09.096 BindingDB Entry DOI: 10.7270/Q2D799V3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50141119 ((S)-2-[4-(1-Carboxy-3-methyl-butylcarbamoyl)-2-(na...) Show SMILES CC(C)CC(NC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(O)=O)c(Oc2cccc3ccccc23)c1)C(O)=O Show InChI InChI=1S/C30H34N2O7/c1-17(2)14-23(29(35)36)31-27(33)20-12-13-22(28(34)32-24(30(37)38)15-18(3)4)26(16-20)39-25-11-7-9-19-8-5-6-10-21(19)25/h5-13,16-18,23-24H,14-15H2,1-4H3,(H,31,33)(H,32,34)(H,35,36)(H,37,38)/t23?,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide				Bioorg Med Chem Lett 14: 1375-9 (2004) Article DOI: 10.1016/j.bmcl.2003.09.096 BindingDB Entry DOI: 10.7270/Q2D799V3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50141120 ((S)-2-{4-[(1-Carboxy-2-methyl-propyl)-isobutyl-car...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)C(C(C)C)C(O)=O)C(O)=O Show InChI InChI=1S/C26H40N2O7/c1-14(2)11-20(25(31)32)27-23(29)19-10-9-18(12-21(19)35-17(7)8)24(30)28(13-15(3)4)22(16(5)6)26(33)34/h9-10,12,14-17,20,22H,11,13H2,1-8H3,(H,27,29)(H,31,32)(H,33,34)/t20-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide				Bioorg Med Chem Lett 14: 1375-9 (2004) Article DOI: 10.1016/j.bmcl.2003.09.096 BindingDB Entry DOI: 10.7270/Q2D799V3
					More data for this Ligand-Target Pair

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