BDBM189512 US9174982, 64

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N(CC4CC4)CC4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=GHGQHMWYLJSPHL-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 = 189512   

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))	BDBM189512 (US9174982, 64) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N(CC4CC4)CC4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:67,(-4.12,-7.33,;-3.3,-6.03,;-4.84,-6.08,;-3.3,-4.49,;-1.97,-3.72,;-.63,-4.49,;.7,-3.72,;.7,-2.18,;2.03,-1.41,;2.03,.13,;.7,.9,;-.63,.13,;-.63,-1.41,;.7,2.44,;2.03,3.21,;2.03,4.75,;.7,5.52,;.7,7.06,;2.03,7.83,;-.63,7.83,;-.63,9.37,;-2.17,9.37,;.91,9.37,;-.63,10.91,;-1.97,11.68,;-1.97,13.22,;-.63,13.99,;-.63,15.53,;-1.97,16.3,;-3.3,15.53,;-4.63,16.3,;-4.63,17.84,;-3.3,18.61,;-1.97,17.84,;-5.97,18.61,;-7.3,17.84,;-8.64,18.61,;-10.18,18.61,;-9.41,19.95,;-5.97,20.15,;-4.63,20.92,;-3.86,22.26,;-3.09,20.92,;.7,13.22,;.7,11.68,;2.03,13.99,;3.37,13.22,;2.03,15.53,;-.63,4.75,;-1.97,5.52,;-3.3,4.75,;-3.3,3.21,;-4.63,2.44,;-5.97,3.21,;-7.43,2.74,;-8.34,3.98,;-7.43,5.23,;-5.97,4.75,;-4.63,5.52,;-.63,3.21,;-.63,-6.03,;-1.97,-6.8,;.7,-6.8,;2.03,-6.03,;3.37,-6.8,;3.37,-8.34,;4.7,-9.11,;2.03,-9.11,;.7,-8.34,)| Show InChI InChI=1S/C53H63ClN8O6S/c1-53(2)21-19-39(47(30-53)37-7-9-40(54)10-8-37)34-59-23-25-60(26-24-59)43-15-17-46(50(28-43)68-44-27-38-20-22-55-51(38)56-31-44)52(63)58-69(66,67)45-16-18-48(49(29-45)62(64)65)57-41-11-13-42(14-12-41)61(32-35-3-4-35)33-36-5-6-36/h7-10,15-18,20,22,27-29,31,35-36,41-42,57H,3-6,11-14,19,21,23-26,30,32-34H2,1-2H3,(H,55,56)(H,58,63)	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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