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BDBM50273809 CHEMBL4127804

SMILES: O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc(cc2)-c2ccncc2)C1

InChI Key: InChIKey=LMBJYFYBQXYQJB-OAQYLSRUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50273809   
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))		BDBM50273809
PNG
(CHEMBL4127804)
Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc(cc2)-c2ccncc2)C1 |r,c:18|
Show InChI InChI=1S/C31H30N4O2/c36-29(27-9-10-27)34-18-13-21(19-34)20-35-28(33-31(14-15-31)30(35)37)26-7-5-23(6-8-26)22-1-3-24(4-2-22)25-11-16-32-17-12-25/h1-8,11-12,16-17,21,27H,9-10,13-15,18-20H2/t21-/m1/s1
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Similars
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair