BDBM144956 US8952157, 138

SMILES: CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(F)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=NSZGQMXEWICLQV-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 = 144956   

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))	BDBM144956 (US8952157, 138) Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(F)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:44| Show InChI InChI=1S/C43H50ClFN6O6S/c1-43(2)18-17-31(38(28-43)30-9-11-32(44)12-10-30)29-49-21-23-50(24-22-49)34-13-15-37(41(26-34)57-35-8-5-7-33(45)25-35)42(52)47-58(55,56)36-14-16-39(40(27-36)51(53)54)46-19-6-20-48(3)4/h5,7-16,25-27,46H,6,17-24,28-29H2,1-4H3,(H,47,52)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0160	-14.7	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
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