Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50018462   

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))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O Show InChI InChI=1S/C33H35NO6S/c1-20(2)25-11-7-6-10-21(25)18-22-19-26(30(36)31(37)29(22)35)32(38)34-23-14-16-24(17-15-23)41(39,40)28-13-9-8-12-27(28)33(3,4)5/h6-17,19-20,35-37H,18H2,1-5H3,(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of growth of human PC3 cell overexpressing Bcl2				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50196036 (CHEMBL217223 | N-(benzenesulfonyl-phenyl)-2,3,4-tr...) Show SMILES Oc1c(O)c(Cc2ccccc2)cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)c1O Show InChI InChI=1S/C26H21NO6S/c28-23-18(15-17-7-3-1-4-8-17)16-22(24(29)25(23)30)26(31)27-19-11-13-21(14-12-19)34(32,33)20-9-5-2-6-10-20/h1-14,16,28-30H,15H2,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of growth of human PC3 cell overexpressing Bcl2				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50196035 (CHEMBL214965 | N-phenyl-2,3,4-trihydroxy-5-benzyl-...) Show SMILES Oc1c(O)c(Cc2ccccc2)cc(C(=O)Nc2ccccc2)c1O Show InChI InChI=1S/C20H17NO4/c22-17-14(11-13-7-3-1-4-8-13)12-16(18(23)19(17)24)20(25)21-15-9-5-2-6-10-15/h1-10,12,22-24H,11H2,(H,21,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of growth of human PC3 cell overexpressing Bcl2				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
					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	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of growth of human PC3 cell overexpressing Bcl2				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50196031 (CHEMBL216213 | N-[(2-Tert-butyl-benzenesulfonyl)-p...) Show SMILES COc1c(Cc2ccccc2C(C)C)cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(OC)c1OC Show InChI InChI=1S/C36H41NO6S/c1-23(2)28-14-10-9-13-24(28)21-25-22-29(33(42-7)34(43-8)32(25)41-6)35(38)37-26-17-19-27(20-18-26)44(39,40)31-16-12-11-15-30(31)36(3,4)5/h9-20,22-23H,21H2,1-8H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of growth of human PC3 cell overexpressing Bcl2				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
					More data for this Ligand-Target Pair