Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189478'   

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))	BDBM189478 (US10213433, Compound 30 | US11369599, Compound 30 ...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC[C@H]4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C44H47ClN6O9S/c1-44(2)13-11-31(38(24-44)29-3-5-32(45)6-4-29)26-49-15-17-50(18-16-49)33-7-9-37(41(22-33)60-34-21-30-12-14-46-42(30)47-25-34)43(52)48-61(55,56)36-8-10-40(39(23-36)51(53)54)59-28-35-27-57-19-20-58-35/h3-10,12,14,21-23,25,35H,11,13,15-20,24,26-28H2,1-2H3,(H,46,47)(H,48,52)/t35-/m1/s1	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))	BDBM189478 (US10213433, Compound 30 | US11369599, Compound 30 ...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC[C@H]4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C44H47ClN6O9S/c1-44(2)13-11-31(38(24-44)29-3-5-32(45)6-4-29)26-49-15-17-50(18-16-49)33-7-9-37(41(22-33)60-34-21-30-12-14-46-42(30)47-25-34)43(52)48-61(55,56)36-8-10-40(39(23-36)51(53)54)59-28-35-27-57-19-20-58-35/h3-10,12,14,21-23,25,35H,11,13,15-20,24,26-28H2,1-2H3,(H,46,47)(H,48,52)/t35-/m1/s1	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))	BDBM189478 (US10213433, Compound 30 | US11369599, Compound 30 ...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC[C@H]4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C44H47ClN6O9S/c1-44(2)13-11-31(38(24-44)29-3-5-32(45)6-4-29)26-49-15-17-50(18-16-49)33-7-9-37(41(22-33)60-34-21-30-12-14-46-42(30)47-25-34)43(52)48-61(55,56)36-8-10-40(39(23-36)51(53)54)59-28-35-27-57-19-20-58-35/h3-10,12,14,21-23,25,35H,11,13,15-20,24,26-28H2,1-2H3,(H,46,47)(H,48,52)/t35-/m1/s1	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