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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' and Ligand = 'BDBM50273835'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273835
PNG
(CHEMBL4127999)
Show SMILES Cn1ccc(n1)C(=O)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:21|
Show InChI InChI=1S/C29H27N5O3/c1-32-13-9-24(31-32)27(35)33-14-8-19(17-33)18-34-26(30-29(11-12-29)28(34)36)21-4-2-20(3-5-21)22-6-7-25-23(16-22)10-15-37-25/h2-7,9-10,13,15-16,19H,8,11-12,14,17-18H2,1H3/t19-/m1/s1
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Similars
Article
PubMed
n/an/a 450n/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