BDBM137401 US8871790, 488

SMILES: O=C(N[C@H]1CCOC1)Nc1cc(ccc1C1CCC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N

InChI Key: InChIKey=OEHXQADHFFJSNQ-DEOSSOPVSA-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 = 137401   

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))	BDBM137401 (US8871790, 488) Show SMILES O=C(N[C@H]1CCOC1)Nc1cc(ccc1C1CCC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C28H32N4O3/c29-17-19-4-6-20(7-5-19)21-10-13-32(14-11-21)27(33)23-8-9-25(22-2-1-3-22)26(16-23)31-28(34)30-24-12-15-35-18-24/h4-9,16,21-22,24H,1-3,10-15,18H2,(H2,30,31,34)/t24-/m0/s1	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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