Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189582'   

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))	BDBM189582 (US10213433, Compound 144 | US11369599, Compound 14...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(C4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59| Show InChI InChI=1S/C46H51ClN8O6S/c1-46(2)16-13-32(40(26-46)30-3-5-33(47)6-4-30)28-52-19-21-53(22-20-52)36-9-11-39(43(24-36)61-37-23-31-14-17-48-44(31)49-27-37)45(56)51-62(59,60)38-10-12-41(42(25-38)55(57)58)50-34-15-18-54(29-34)35-7-8-35/h3-6,9-12,14,17,23-25,27,34-35,50H,7-8,13,15-16,18-22,26,28-29H2,1-2H3,(H,48,49)(H,51,56)/t34-/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))	BDBM189582 (US10213433, Compound 144 | US11369599, Compound 14...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(C4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59| Show InChI InChI=1S/C46H51ClN8O6S/c1-46(2)16-13-32(40(26-46)30-3-5-33(47)6-4-30)28-52-19-21-53(22-20-52)36-9-11-39(43(24-36)61-37-23-31-14-17-48-44(31)49-27-37)45(56)51-62(59,60)38-10-12-41(42(25-38)55(57)58)50-34-15-18-54(29-34)35-7-8-35/h3-6,9-12,14,17,23-25,27,34-35,50H,7-8,13,15-16,18-22,26,28-29H2,1-2H3,(H,48,49)(H,51,56)/t34-/m1/s1	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))	BDBM189582 (US10213433, Compound 144 | US11369599, Compound 14...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(C4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59| Show InChI InChI=1S/C46H51ClN8O6S/c1-46(2)16-13-32(40(26-46)30-3-5-33(47)6-4-30)28-52-19-21-53(22-20-52)36-9-11-39(43(24-36)61-37-23-31-14-17-48-44(31)49-27-37)45(56)51-62(59,60)38-10-12-41(42(25-38)55(57)58)50-34-15-18-54(29-34)35-7-8-35/h3-6,9-12,14,17,23-25,27,34-35,50H,7-8,13,15-16,18-22,26,28-29H2,1-2H3,(H,48,49)(H,51,56)/t34-/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))	BDBM189582 (US10213433, Compound 144 | US11369599, Compound 14...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(C4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59| Show InChI InChI=1S/C46H51ClN8O6S/c1-46(2)16-13-32(40(26-46)30-3-5-33(47)6-4-30)28-52-19-21-53(22-20-52)36-9-11-39(43(24-36)61-37-23-31-14-17-48-44(31)49-27-37)45(56)51-62(59,60)38-10-12-41(42(25-38)55(57)58)50-34-15-18-54(29-34)35-7-8-35/h3-6,9-12,14,17,23-25,27,34-35,50H,7-8,13,15-16,18-22,26,28-29H2,1-2H3,(H,48,49)(H,51,56)/t34-/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