Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189713'   

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))	BDBM189713 (US10213433, Compound 283 | US11369599, Compound 28...) Show SMILES CN1CCC(F)(COc2ccc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:46| Show InChI InChI=1S/C46H51Cl2FN6O5S/c1-45(2)14-12-33(39(27-45)31-4-6-34(47)7-5-31)29-54-20-22-55(23-21-54)35-8-10-38(42(25-35)60-36-24-32-13-17-50-43(32)51-28-36)44(56)52-61(57,58)37-9-11-41(40(48)26-37)59-30-46(49)15-18-53(3)19-16-46/h4-11,13,17,24-26,28H,12,14-16,18-23,27,29-30H2,1-3H3,(H,50,51)(H,52,56)	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))	BDBM189713 (US10213433, Compound 283 | US11369599, Compound 28...) Show SMILES CN1CCC(F)(COc2ccc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:46| Show InChI InChI=1S/C46H51Cl2FN6O5S/c1-45(2)14-12-33(39(27-45)31-4-6-34(47)7-5-31)29-54-20-22-55(23-21-54)35-8-10-38(42(25-35)60-36-24-32-13-17-50-43(32)51-28-36)44(56)52-61(57,58)37-9-11-41(40(48)26-37)59-30-46(49)15-18-53(3)19-16-46/h4-11,13,17,24-26,28H,12,14-16,18-23,27,29-30H2,1-3H3,(H,50,51)(H,52,56)	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))	BDBM189713 (US10213433, Compound 283 | US11369599, Compound 28...) Show SMILES CN1CCC(F)(COc2ccc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:46| Show InChI InChI=1S/C46H51Cl2FN6O5S/c1-45(2)14-12-33(39(27-45)31-4-6-34(47)7-5-31)29-54-20-22-55(23-21-54)35-8-10-38(42(25-35)60-36-24-32-13-17-50-43(32)51-28-36)44(56)52-61(57,58)37-9-11-41(40(48)26-37)59-30-46(49)15-18-53(3)19-16-46/h4-11,13,17,24-26,28H,12,14-16,18-23,27,29-30H2,1-3H3,(H,50,51)(H,52,56)	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))	BDBM189713 (US10213433, Compound 283 | US11369599, Compound 28...) Show SMILES CN1CCC(F)(COc2ccc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:46| Show InChI InChI=1S/C46H51Cl2FN6O5S/c1-45(2)14-12-33(39(27-45)31-4-6-34(47)7-5-31)29-54-20-22-55(23-21-54)35-8-10-38(42(25-35)60-36-24-32-13-17-50-43(32)51-28-36)44(56)52-61(57,58)37-9-11-41(40(48)26-37)59-30-46(49)15-18-53(3)19-16-46/h4-11,13,17,24-26,28H,12,14-16,18-23,27,29-30H2,1-3H3,(H,50,51)(H,52,56)	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