Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189489'   

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))	BDBM189489 (US10213433, Compound 41 | US11369599, Compound 41 ...) Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)CO1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C43H46Cl2N6O7S/c1-43(2)22-37(29-3-5-32(44)6-4-29)31(27-57-43)25-50-13-15-51(16-14-50)33-7-8-36(39(20-33)58-34-19-30-9-12-46-40(30)47-23-34)41(52)49-59(53,54)35-21-38(45)42(48-24-35)56-26-28-10-17-55-18-11-28/h3-9,12,19-21,23-24,28H,10-11,13-18,22,25-27H2,1-2H3,(H,46,47)(H,49,52)	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))	BDBM189489 (US10213433, Compound 41 | US11369599, Compound 41 ...) Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)CO1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C43H46Cl2N6O7S/c1-43(2)22-37(29-3-5-32(44)6-4-29)31(27-57-43)25-50-13-15-51(16-14-50)33-7-8-36(39(20-33)58-34-19-30-9-12-46-40(30)47-23-34)41(52)49-59(53,54)35-21-38(45)42(48-24-35)56-26-28-10-17-55-18-11-28/h3-9,12,19-21,23-24,28H,10-11,13-18,22,25-27H2,1-2H3,(H,46,47)(H,49,52)	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))	BDBM189489 (US10213433, Compound 41 | US11369599, Compound 41 ...) Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)CO1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C43H46Cl2N6O7S/c1-43(2)22-37(29-3-5-32(44)6-4-29)31(27-57-43)25-50-13-15-51(16-14-50)33-7-8-36(39(20-33)58-34-19-30-9-12-46-40(30)47-23-34)41(52)49-59(53,54)35-21-38(45)42(48-24-35)56-26-28-10-17-55-18-11-28/h3-9,12,19-21,23-24,28H,10-11,13-18,22,25-27H2,1-2H3,(H,46,47)(H,49,52)	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