BDBM137088 US8871790, 156

SMILES: COCCc1nnc([nH]1)-c1cc(C(=O)N2CCC(F)(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1

InChI Key: InChIKey=VGWHHQJFPFLCJC-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 = 137088   

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))	BDBM137088 (US8871790, 156) Show SMILES COCCc1nnc([nH]1)-c1cc(C(=O)N2CCC(F)(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1 Show InChI InChI=1S/C29H32FN5O2/c1-19-16-24(21-4-3-5-21)25(27-32-26(33-34-27)10-15-37-2)17-23(19)28(36)35-13-11-29(30,12-14-35)22-8-6-20(18-31)7-9-22/h6-9,16-17,21H,3-5,10-15H2,1-2H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	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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