Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189553'   

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))	BDBM189553 (US11369599, Compound 115 | US9174982, 115) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)[C@H]4CCOC[C@H]4F)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:64| Show InChI InChI=1S/C49H56ClFN8O7S/c1-49(2)16-11-34(41(28-49)32-3-5-35(50)6-4-32)30-56-20-22-57(23-21-56)37-7-9-40(46(26-37)66-38-25-33-12-17-52-47(33)53-29-38)48(60)55-67(63,64)39-8-10-43(45(27-39)59(61)62)54-36-13-18-58(19-14-36)44-15-24-65-31-42(44)51/h3-10,12,17,25-27,29,36,42,44,54H,11,13-16,18-24,28,30-31H2,1-2H3,(H,52,53)(H,55,60)/t42-,44+/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))	BDBM189553 (US11369599, Compound 115 | US9174982, 115) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)[C@H]4CCOC[C@H]4F)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:64| Show InChI InChI=1S/C49H56ClFN8O7S/c1-49(2)16-11-34(41(28-49)32-3-5-35(50)6-4-32)30-56-20-22-57(23-21-56)37-7-9-40(46(26-37)66-38-25-33-12-17-52-47(33)53-29-38)48(60)55-67(63,64)39-8-10-43(45(27-39)59(61)62)54-36-13-18-58(19-14-36)44-15-24-65-31-42(44)51/h3-10,12,17,25-27,29,36,42,44,54H,11,13-16,18-24,28,30-31H2,1-2H3,(H,52,53)(H,55,60)/t42-,44+/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