Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM145219'   

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))	BDBM145219 (US8952157, 410 | US9303025, 410) Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCC(F)(F)CC4)c(Cl)c3)c(Oc3cc4cc[nH]c4cc3F)c2)CO1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C45H46Cl2F3N5O6S/c1-44(2)23-36(29-3-5-32(46)6-4-29)31(27-60-44)25-54-15-17-55(18-16-54)33-7-8-35(40(20-33)61-41-19-30-11-14-51-39(30)22-38(41)48)42(56)53-62(57,58)34-21-37(47)43(52-24-34)59-26-28-9-12-45(49,50)13-10-28/h3-8,11,14,19-22,24,28,51H,9-10,12-13,15-18,23,25-27H2,1-2H3,(H,53,56)	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. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9303025 (2016) BindingDB Entry DOI: 10.7270/Q2XD10JP
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM145219 (US8952157, 410 | US9303025, 410) Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCC(F)(F)CC4)c(Cl)c3)c(Oc3cc4cc[nH]c4cc3F)c2)CO1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C45H46Cl2F3N5O6S/c1-44(2)23-36(29-3-5-32(46)6-4-29)31(27-60-44)25-54-15-17-55(18-16-54)33-7-8-35(40(20-33)61-41-19-30-11-14-51-39(30)22-38(41)48)42(56)53-62(57,58)34-21-37(47)43(52-24-34)59-26-28-9-12-45(49,50)13-10-28/h3-8,11,14,19-22,24,28,51H,9-10,12-13,15-18,23,25-27H2,1-2H3,(H,53,56)	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.; 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 US8952157 (2015) BindingDB Entry DOI: 10.7270/Q2QN65G9
					More data for this Ligand-Target Pair