Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM145122'   

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))	BDBM145122 (US8952157, 313 | US9303025, 313) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4NC(=O)Cc34)c2)=C(C1)c1ccc(Cl)cc1 |c:59| Show InChI InChI=1S/C46H49ClFN5O9S/c1-45(2)15-14-31(37(27-45)30-6-8-32(47)9-7-30)28-51-18-20-52(21-19-51)33-10-12-35(42(24-33)62-40-5-3-4-38-36(40)26-43(54)49-38)44(55)50-63(58,59)34-11-13-41(39(25-34)53(56)57)61-29-46(48)16-22-60-23-17-46/h3-13,24-25H,14-23,26-29H2,1-2H3,(H,49,54)(H,50,55)	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))	BDBM145122 (US8952157, 313 | US9303025, 313) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4NC(=O)Cc34)c2)=C(C1)c1ccc(Cl)cc1 |c:59| Show InChI InChI=1S/C46H49ClFN5O9S/c1-45(2)15-14-31(37(27-45)30-6-8-32(47)9-7-30)28-51-18-20-52(21-19-51)33-10-12-35(42(24-33)62-40-5-3-4-38-36(40)26-43(54)49-38)44(55)50-63(58,59)34-11-13-41(39(25-34)53(56)57)61-29-46(48)16-22-60-23-17-46/h3-13,24-25H,14-23,26-29H2,1-2H3,(H,49,54)(H,50,55)	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