Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189472'   

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))	BDBM189472 (US10213433, Compound 24 | US11369599, Compound 24 ...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H49ClN6O8S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)28-50-17-19-51(20-18-50)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)48-27-36)44(53)49-61(56,57)37-8-10-41(40(25-37)52(54)55)59-29-30-13-21-58-22-14-30/h3-10,12,16,23-25,27,30H,11,13-15,17-22,26,28-29H2,1-2H3,(H,47,48)(H,49,53)	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))	BDBM189472 (US10213433, Compound 24 | US11369599, Compound 24 ...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H49ClN6O8S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)28-50-17-19-51(20-18-50)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)48-27-36)44(53)49-61(56,57)37-8-10-41(40(25-37)52(54)55)59-29-30-13-21-58-22-14-30/h3-10,12,16,23-25,27,30H,11,13-15,17-22,26,28-29H2,1-2H3,(H,47,48)(H,49,53)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM189472 (US10213433, Compound 24 | US11369599, Compound 24 ...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H49ClN6O8S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)28-50-17-19-51(20-18-50)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)48-27-36)44(53)49-61(56,57)37-8-10-41(40(25-37)52(54)55)59-29-30-13-21-58-22-14-30/h3-10,12,16,23-25,27,30H,11,13-15,17-22,26,28-29H2,1-2H3,(H,47,48)(H,49,53)	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))	BDBM189472 (US10213433, Compound 24 | US11369599, Compound 24 ...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H49ClN6O8S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)28-50-17-19-51(20-18-50)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)48-27-36)44(53)49-61(56,57)37-8-10-41(40(25-37)52(54)55)59-29-30-13-21-58-22-14-30/h3-10,12,16,23-25,27,30H,11,13-15,17-22,26,28-29H2,1-2H3,(H,47,48)(H,49,53)	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