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

InChI Key: InChIKey=FTOQJTNUZQCHHW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 137311   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Fatty acid synthase


(Homo sapiens (Human))		BDBM137311
PNG
(US8871790, 397)
Show SMILES CCc1cc(CC)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2CCN(Cc2[nH]1)C(C)=O
Show InChI InChI=1S/C31H35N5O2/c1-4-22-16-23(5-2)27(17-26(22)30-33-28-12-15-36(20(3)37)19-29(28)34-30)31(38)35-13-10-25(11-14-35)24-8-6-21(18-32)7-9-24/h6-9,16-17,25H,4-5,10-15,19H2,1-3H3,(H,33,34)
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Similars
US Patent
n/an/a 40n/an/an/an/an/an/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
More data for this
Ligand-Target Pair