BDBM137344 US8871790, 430

SMILES: COC(=O)N1CCc2nc([nH]c2CC1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C

InChI Key: InChIKey=KROXHBRPXJMJKI-UHFFFAOYSA-N

Data: 1 IC50

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 = 137344   

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
Fatty acid synthase (Homo sapiens (Human))	BDBM137344 (US8871790, 430) Show SMILES COC(=O)N1CCc2nc([nH]c2CC1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C Show InChI InChI=1S/C30H33N5O3/c1-19-16-20(2)25(29(36)34-12-8-23(9-13-34)22-6-4-21(18-31)5-7-22)17-24(19)28-32-26-10-14-35(30(37)38-3)15-11-27(26)33-28/h4-7,16-17,23H,8-15H2,1-3H3,(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US8871790 (2014) BindingDB Entry DOI: 10.7270/Q2PG1QD3
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