Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189715'   

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))	BDBM189715 (US10213433, Compound 285 | US11369599, Compound 28...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCN(CC(F)F)CC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:60| Show InChI InChI=1S/C46H50Cl2F3N7O5S/c1-45(2)11-9-32(38(24-45)30-3-5-33(47)6-4-30)27-57-17-19-58(20-18-57)34-7-8-37(40(22-34)63-35-21-31-10-14-52-42(31)53-25-35)43(59)55-64(60,61)36-23-39(48)44(54-26-36)62-29-46(51)12-15-56(16-13-46)28-41(49)50/h3-8,10,14,21-23,25-26,41H,9,11-13,15-20,24,27-29H2,1-2H3,(H,52,53)(H,55,59)	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))	BDBM189715 (US10213433, Compound 285 | US11369599, Compound 28...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCN(CC(F)F)CC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:60| Show InChI InChI=1S/C46H50Cl2F3N7O5S/c1-45(2)11-9-32(38(24-45)30-3-5-33(47)6-4-30)27-57-17-19-58(20-18-57)34-7-8-37(40(22-34)63-35-21-31-10-14-52-42(31)53-25-35)43(59)55-64(60,61)36-23-39(48)44(54-26-36)62-29-46(51)12-15-56(16-13-46)28-41(49)50/h3-8,10,14,21-23,25-26,41H,9,11-13,15-20,24,27-29H2,1-2H3,(H,52,53)(H,55,59)	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))	BDBM189715 (US10213433, Compound 285 | US11369599, Compound 28...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCN(CC(F)F)CC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:60| Show InChI InChI=1S/C46H50Cl2F3N7O5S/c1-45(2)11-9-32(38(24-45)30-3-5-33(47)6-4-30)27-57-17-19-58(20-18-57)34-7-8-37(40(22-34)63-35-21-31-10-14-52-42(31)53-25-35)43(59)55-64(60,61)36-23-39(48)44(54-26-36)62-29-46(51)12-15-56(16-13-46)28-41(49)50/h3-8,10,14,21-23,25-26,41H,9,11-13,15-20,24,27-29H2,1-2H3,(H,52,53)(H,55,59)	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