Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189469'   

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))	BDBM189469 (US10213433, Compound 15 | US11369599, Compound 15 ...) Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CO1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C44H48ClN7O8S/c1-44(2)24-38(30-3-5-33(45)6-4-30)32(28-59-44)27-50-15-17-51(18-16-50)34-7-9-37(41(22-34)60-35-21-31-11-14-46-42(31)48-26-35)43(53)49-61(56,57)36-8-10-39(40(23-36)52(54)55)47-25-29-12-19-58-20-13-29/h3-11,14,21-23,26,29,47H,12-13,15-20,24-25,27-28H2,1-2H3,(H,46,48)(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))	BDBM189469 (US10213433, Compound 15 | US11369599, Compound 15 ...) Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CO1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C44H48ClN7O8S/c1-44(2)24-38(30-3-5-33(45)6-4-30)32(28-59-44)27-50-15-17-51(18-16-50)34-7-9-37(41(22-34)60-35-21-31-11-14-46-42(31)48-26-35)43(53)49-61(56,57)36-8-10-39(40(23-36)52(54)55)47-25-29-12-19-58-20-13-29/h3-11,14,21-23,26,29,47H,12-13,15-20,24-25,27-28H2,1-2H3,(H,46,48)(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))	BDBM189469 (US10213433, Compound 15 | US11369599, Compound 15 ...) Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CO1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C44H48ClN7O8S/c1-44(2)24-38(30-3-5-33(45)6-4-30)32(28-59-44)27-50-15-17-51(18-16-50)34-7-9-37(41(22-34)60-35-21-31-11-14-46-42(31)48-26-35)43(53)49-61(56,57)36-8-10-39(40(23-36)52(54)55)47-25-29-12-19-58-20-13-29/h3-11,14,21-23,26,29,47H,12-13,15-20,24-25,27-28H2,1-2H3,(H,46,48)(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))	BDBM189469 (US10213433, Compound 15 | US11369599, Compound 15 ...) Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CO1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C44H48ClN7O8S/c1-44(2)24-38(30-3-5-33(45)6-4-30)32(28-59-44)27-50-15-17-51(18-16-50)34-7-9-37(41(22-34)60-35-21-31-11-14-46-42(31)48-26-35)43(53)49-61(56,57)36-8-10-39(40(23-36)52(54)55)47-25-29-12-19-58-20-13-29/h3-11,14,21-23,26,29,47H,12-13,15-20,24-25,27-28H2,1-2H3,(H,46,48)(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