Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50019912   

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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50208819 (2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulf...) Show SMILES CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O Show InChI InChI=1S/C34H37N3O8S2/c1-36(19-8-13-24-9-4-2-5-10-24)47(44,45)30-22-29(31(38)33(40)32(30)39)34(41)37-20-17-26-14-15-28(21-27(26)23-37)46(42,43)35-18-16-25-11-6-3-7-12-25/h2-7,9-12,14-15,21-22,35,38-40H,8,13,16-20,23H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from human recombinant Bcl2 by FP-based binding assay				J Med Chem 50: 1723-6 (2007) Article DOI: 10.1021/jm061400l BindingDB Entry DOI: 10.7270/Q2NV9HXV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50208819 (2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulf...) Show SMILES CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O Show InChI InChI=1S/C34H37N3O8S2/c1-36(19-8-13-24-9-4-2-5-10-24)47(44,45)30-22-29(31(38)33(40)32(30)39)34(41)37-20-17-26-14-15-28(21-27(26)23-37)46(42,43)35-18-16-25-11-6-3-7-12-25/h2-7,9-12,14-15,21-22,35,38-40H,8,13,16-20,23H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from human Mcl1 by FP-based binding assay				J Med Chem 50: 1723-6 (2007) Article DOI: 10.1021/jm061400l BindingDB Entry DOI: 10.7270/Q2NV9HXV
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50208821 (2-(2,3,4-trihydroxy-5-isopropylbenzoyl)-1,2,3,4-te...) Show SMILES CC(C)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O Show InChI InChI=1S/C27H30N2O6S/c1-17(2)22-15-23(25(31)26(32)24(22)30)27(33)29-13-11-19-8-9-21(14-20(19)16-29)36(34,35)28-12-10-18-6-4-3-5-7-18/h3-9,14-15,17,28,30-32H,10-13,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from human recombinant Bcl2 by FP-based binding assay				J Med Chem 50: 1723-6 (2007) Article DOI: 10.1021/jm061400l BindingDB Entry DOI: 10.7270/Q2NV9HXV
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50208819 (2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulf...) Show SMILES CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O Show InChI InChI=1S/C34H37N3O8S2/c1-36(19-8-13-24-9-4-2-5-10-24)47(44,45)30-22-29(31(38)33(40)32(30)39)34(41)37-20-17-26-14-15-28(21-27(26)23-37)46(42,43)35-18-16-25-11-6-3-7-12-25/h2-7,9-12,14-15,21-22,35,38-40H,8,13,16-20,23H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	638	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bak BH3 peptide from human Bcl-xL by FP-based binding assay				J Med Chem 50: 1723-6 (2007) Article DOI: 10.1021/jm061400l BindingDB Entry DOI: 10.7270/Q2NV9HXV
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50208820 ((3,4-dihydro-1H-isoquinolin-2-yl)-(2,3,4-trihydrox...) Show SMILES CC(C)c1cc(C(=O)N2CCc3ccccc3C2)c(O)c(O)c1O Show InChI InChI=1S/C19H21NO4/c1-11(2)14-9-15(17(22)18(23)16(14)21)19(24)20-8-7-12-5-3-4-6-13(12)10-20/h3-6,9,11,21-23H,7-8,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from human recombinant Bcl2 by FP-based binding assay				J Med Chem 50: 1723-6 (2007) Article DOI: 10.1021/jm061400l BindingDB Entry DOI: 10.7270/Q2NV9HXV
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50196033 (2,3,4-trihydroxy-5-isopropyl-N-phenyl-benzamide | ...) Show SMILES CC(C)c1cc(C(=O)Nc2ccccc2)c(O)c(O)c1O Show InChI InChI=1S/C16H17NO4/c1-9(2)11-8-12(14(19)15(20)13(11)18)16(21)17-10-6-4-3-5-7-10/h3-9,18-20H,1-2H3,(H,17,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.19E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from human recombinant Bcl2 by FP-based binding assay				J Med Chem 50: 1723-6 (2007) Article DOI: 10.1021/jm061400l BindingDB Entry DOI: 10.7270/Q2NV9HXV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50208819 (2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulf...) Show SMILES CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O Show InChI InChI=1S/C34H37N3O8S2/c1-36(19-8-13-24-9-4-2-5-10-24)47(44,45)30-22-29(31(38)33(40)32(30)39)34(41)37-20-17-26-14-15-28(21-27(26)23-37)46(42,43)35-18-16-25-11-6-3-7-12-25/h2-7,9-12,14-15,21-22,35,38-40H,8,13,16-20,23H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of biotinylated Bim BH3 peptide from recombinant His-tagged Mcl1 by ELISA assay				J Med Chem 50: 1723-6 (2007) Article DOI: 10.1021/jm061400l BindingDB Entry DOI: 10.7270/Q2NV9HXV
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50208819 (2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulf...) Show SMILES CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O Show InChI InChI=1S/C34H37N3O8S2/c1-36(19-8-13-24-9-4-2-5-10-24)47(44,45)30-22-29(31(38)33(40)32(30)39)34(41)37-20-17-26-14-15-28(21-27(26)23-37)46(42,43)35-18-16-25-11-6-3-7-12-25/h2-7,9-12,14-15,21-22,35,38-40H,8,13,16-20,23H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of biotinylated Bim BH3 peptide from recombinant His-tagged Bcl2 by ELISA assay				J Med Chem 50: 1723-6 (2007) Article DOI: 10.1021/jm061400l BindingDB Entry DOI: 10.7270/Q2NV9HXV
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50208821 (2-(2,3,4-trihydroxy-5-isopropylbenzoyl)-1,2,3,4-te...) Show SMILES CC(C)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O Show InChI InChI=1S/C27H30N2O6S/c1-17(2)22-15-23(25(31)26(32)24(22)30)27(33)29-13-11-19-8-9-21(14-20(19)16-29)36(34,35)28-12-10-18-6-4-3-5-7-18/h3-9,14-15,17,28,30-32H,10-13,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of biotinylated Bim BH3 peptide from recombinant His-tagged Bcl2 by ELISA assay				J Med Chem 50: 1723-6 (2007) Article DOI: 10.1021/jm061400l BindingDB Entry DOI: 10.7270/Q2NV9HXV
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50208820 ((3,4-dihydro-1H-isoquinolin-2-yl)-(2,3,4-trihydrox...) Show SMILES CC(C)c1cc(C(=O)N2CCc3ccccc3C2)c(O)c(O)c1O Show InChI InChI=1S/C19H21NO4/c1-11(2)14-9-15(17(22)18(23)16(14)21)19(24)20-8-7-12-5-3-4-6-13(12)10-20/h3-6,9,11,21-23H,7-8,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of biotinylated Bim BH3 peptide from recombinant His-tagged Bcl2 by ELISA assay				J Med Chem 50: 1723-6 (2007) Article DOI: 10.1021/jm061400l BindingDB Entry DOI: 10.7270/Q2NV9HXV
					More data for this Ligand-Target Pair