Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189781'   

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))	BDBM189781 (US10213433, Compound 353 | US11369599, Compound 35...) Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC(CF)(CF)C2)c2ccc(Cl)cc2)CC1 |t:49| Show InChI InChI=1S/C45H48ClF2N7O7S/c46-34-3-1-31(2-4-34)38-9-13-45(28-47,29-48)24-33(38)27-53-15-17-54(18-16-53)35-5-7-39(42(22-35)62-36-21-32-10-14-49-43(32)51-26-36)44(56)52-63(59,60)37-6-8-40(41(23-37)55(57)58)50-25-30-11-19-61-20-12-30/h1-8,10,14,21-23,26,30,50H,9,11-13,15-20,24-25,27-29H2,(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))	BDBM189781 (US10213433, Compound 353 | US11369599, Compound 35...) Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC(CF)(CF)C2)c2ccc(Cl)cc2)CC1 |t:49| Show InChI InChI=1S/C45H48ClF2N7O7S/c46-34-3-1-31(2-4-34)38-9-13-45(28-47,29-48)24-33(38)27-53-15-17-54(18-16-53)35-5-7-39(42(22-35)62-36-21-32-10-14-49-43(32)51-26-36)44(56)52-63(59,60)37-6-8-40(41(23-37)55(57)58)50-25-30-11-19-61-20-12-30/h1-8,10,14,21-23,26,30,50H,9,11-13,15-20,24-25,27-29H2,(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))	BDBM189781 (US10213433, Compound 353 | US11369599, Compound 35...) Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC(CF)(CF)C2)c2ccc(Cl)cc2)CC1 |t:49| Show InChI InChI=1S/C45H48ClF2N7O7S/c46-34-3-1-31(2-4-34)38-9-13-45(28-47,29-48)24-33(38)27-53-15-17-54(18-16-53)35-5-7-39(42(22-35)62-36-21-32-10-14-49-43(32)51-26-36)44(56)52-63(59,60)37-6-8-40(41(23-37)55(57)58)50-25-30-11-19-61-20-12-30/h1-8,10,14,21-23,26,30,50H,9,11-13,15-20,24-25,27-29H2,(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