Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189716'   

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))	BDBM189716 (US10213433, Compound 286 | US11369599, Compound 28...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56| Show InChI InChI=1S/C45H48Cl2FN5O6S/c1-44(2)13-11-32(38(26-44)30-3-5-33(46)6-4-30)28-52-17-19-53(20-18-52)34-7-9-37(41(24-34)59-35-23-31-12-16-49-42(31)50-27-35)43(54)51-60(55,56)36-8-10-40(39(47)25-36)58-29-45(48)14-21-57-22-15-45/h3-10,12,16,23-25,27H,11,13-15,17-22,26,28-29H2,1-2H3,(H,49,50)(H,51,54)	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))	BDBM189716 (US10213433, Compound 286 | US11369599, Compound 28...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56| Show InChI InChI=1S/C45H48Cl2FN5O6S/c1-44(2)13-11-32(38(26-44)30-3-5-33(46)6-4-30)28-52-17-19-53(20-18-52)34-7-9-37(41(24-34)59-35-23-31-12-16-49-42(31)50-27-35)43(54)51-60(55,56)36-8-10-40(39(47)25-36)58-29-45(48)14-21-57-22-15-45/h3-10,12,16,23-25,27H,11,13-15,17-22,26,28-29H2,1-2H3,(H,49,50)(H,51,54)	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))	BDBM189716 (US10213433, Compound 286 | US11369599, Compound 28...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:56| Show InChI InChI=1S/C45H48Cl2FN5O6S/c1-44(2)13-11-32(38(26-44)30-3-5-33(46)6-4-30)28-52-17-19-53(20-18-52)34-7-9-37(41(24-34)59-35-23-31-12-16-49-42(31)50-27-35)43(54)51-60(55,56)36-8-10-40(39(47)25-36)58-29-45(48)14-21-57-22-15-45/h3-10,12,16,23-25,27H,11,13-15,17-22,26,28-29H2,1-2H3,(H,49,50)(H,51,54)	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