Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189527'   

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))	BDBM189527 (US10213433, Compound 79 | US11369599, Compound 79 ...) Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC3(CCCC3)C2)c2ccc(Cl)cc2)CC1 |t:49| Show InChI InChI=1S/C47H52ClN7O7S/c48-36-5-3-33(4-6-36)40-11-17-47(15-1-2-16-47)28-35(40)31-53-19-21-54(22-20-53)37-7-9-41(44(26-37)62-38-25-34-12-18-49-45(34)51-30-38)46(56)52-63(59,60)39-8-10-42(43(27-39)55(57)58)50-29-32-13-23-61-24-14-32/h3-10,12,18,25-27,30,32,50H,1-2,11,13-17,19-24,28-29,31H2,(H,49,51)(H,52,56)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<0.0100	<-62.8	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC.; GENENTECH, INC.; THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...				US Patent US9174982 (2015) BindingDB Entry DOI: 10.7270/Q2RB73D5
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM189527 (US10213433, Compound 79 | US11369599, Compound 79 ...) Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC3(CCCC3)C2)c2ccc(Cl)cc2)CC1 |t:49| Show InChI InChI=1S/C47H52ClN7O7S/c48-36-5-3-33(4-6-36)40-11-17-47(15-1-2-16-47)28-35(40)31-53-19-21-54(22-20-53)37-7-9-41(44(26-37)62-38-25-34-12-18-49-45(34)51-30-38)46(56)52-63(59,60)39-8-10-42(43(27-39)55(57)58)50-29-32-13-23-61-24-14-32/h3-10,12,18,25-27,30,32,50H,1-2,11,13-17,19-24,28-29,31H2,(H,49,51)(H,52,56)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition constant (Ki) for binding of representative compounds to Bcl-2 protein, as determined by a TR-FRET (Time-Resolved Fluorescence-Resonan...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J59
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM189527 (US10213433, Compound 79 | US11369599, Compound 79 ...) Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC3(CCCC3)C2)c2ccc(Cl)cc2)CC1 |t:49| Show InChI InChI=1S/C47H52ClN7O7S/c48-36-5-3-33(4-6-36)40-11-17-47(15-1-2-16-47)28-35(40)31-53-19-21-54(22-20-53)37-7-9-41(44(26-37)62-38-25-34-12-18-49-45(34)51-30-38)46(56)52-63(59,60)39-8-10-42(43(27-39)55(57)58)50-29-32-13-23-61-24-14-32/h3-10,12,18,25-27,30,32,50H,1-2,11,13-17,19-24,28-29,31H2,(H,49,51)(H,52,56)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.				US Patent US10213433 (2019) BindingDB Entry DOI: 10.7270/Q23F4RZ6
					More data for this Ligand-Target Pair