BDBM137325 US8871790, 411

SMILES: CCc1cc(C2CC2)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2CCN(Cc2[nH]1)C(=O)OC

InChI Key: InChIKey=BQVMFOBTDLQGOW-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 137325   

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))	BDBM137325 (US8871790, 411) Show SMILES CCc1cc(C2CC2)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2CCN(Cc2[nH]1)C(=O)OC Show InChI InChI=1S/C32H35N5O3/c1-3-21-16-25(24-8-9-24)27(30-34-28-12-15-37(32(39)40-2)19-29(28)35-30)17-26(21)31(38)36-13-10-23(11-14-36)22-6-4-20(18-33)5-7-22/h4-7,16-17,23-24H,3,8-15,19H2,1-2H3,(H,34,35)	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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