BDBM137333 US8871790, 419

SMILES: COC(=O)N1CCc2nc([nH]c2C1)-c1cc(ccc1C1CCC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N

InChI Key: InChIKey=MZGCCZIDMPGXJT-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 = 137333   

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))	BDBM137333 (US8871790, 419) Show SMILES COC(=O)N1CCc2nc([nH]c2C1)-c1cc(ccc1C1CCC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C31H33N5O3/c1-39-31(38)36-16-13-27-28(19-36)34-29(33-27)26-17-24(9-10-25(26)23-3-2-4-23)30(37)35-14-11-22(12-15-35)21-7-5-20(18-32)6-8-21/h5-10,17,22-23H,2-4,11-16,19H2,1H3,(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	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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