BDBM189492 US9174982, 44

SMILES: CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCOCC4)c(c3)S(=O)(=O)C(F)(F)F)c(Oc3cnc4[nH]ccc4c3)c2)CO1)c1ccc(Cl)cc1

InChI Key: InChIKey=XBANGVMCIRMPAC-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 189492   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM189492 (US9174982, 44) Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCOCC4)c(c3)S(=O)(=O)C(F)(F)F)c(Oc3cnc4[nH]ccc4c3)c2)CO1)c1ccc(Cl)cc1 |t:4,(8.65,-14.57,;7.84,-13.26,;9.38,-13.32,;6.5,-14.03,;5.17,-13.26,;5.17,-11.72,;3.84,-10.95,;3.84,-9.41,;5.17,-8.64,;5.17,-7.1,;3.84,-6.33,;2.5,-7.1,;2.5,-8.64,;3.84,-4.79,;5.17,-4.02,;5.17,-2.48,;3.84,-1.71,;3.84,-.17,;2.5,.6,;5.17,.6,;5.17,2.14,;6.71,2.14,;3.63,2.14,;5.17,3.68,;3.84,4.45,;3.84,5.99,;5.17,6.76,;5.17,8.3,;3.84,9.07,;2.5,8.3,;1.17,9.07,;1.17,10.61,;2.5,11.38,;3.84,10.61,;-.16,11.38,;-1.5,10.61,;-2.83,11.38,;-2.83,12.92,;-1.5,13.69,;-.16,12.92,;6.5,5.99,;6.5,4.45,;7.84,6.76,;7.07,8.09,;9.17,7.53,;8.61,5.42,;9.94,6.19,;7.27,4.65,;9.38,4.09,;2.5,-2.48,;1.17,-1.71,;-.16,-2.48,;-.16,-4.02,;-1.5,-4.79,;-2.83,-4.02,;-4.3,-4.5,;-5.2,-3.25,;-4.3,-2.01,;-2.83,-2.48,;-1.5,-1.71,;2.5,-4.02,;6.5,-10.95,;7.84,-11.72,;3.84,-14.03,;3.84,-15.57,;2.5,-16.34,;1.17,-15.57,;-.16,-16.34,;1.17,-14.03,;2.5,-13.26,)| Show InChI InChI=1S/C49H55ClF3N7O8S2/c1-48(2)28-42(32-3-5-35(50)6-4-32)34(31-67-48)30-58-17-19-59(20-18-58)38-11-13-41(44(26-38)68-39-25-33-15-16-54-46(33)55-29-39)47(61)57-70(64,65)40-12-14-43(45(27-40)69(62,63)49(51,52)53)56-36-7-9-37(10-8-36)60-21-23-66-24-22-60/h3-6,11-16,25-27,29,36-37,56H,7-10,17-24,28,30-31H2,1-2H3,(H,54,55)(H,57,61)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<0.0100	<-15.0	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
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