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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sepiapterin reductase' and Ligand = 'BDBM50515125'   
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
Sepiapterin reductase


(Homo sapiens (Human))		BDBM50515125
PNG
(CHEMBL4562659)
Show SMILES Oc1cccc(F)c1C(=O)N1CCC2(CCC2)C1
Show InChI InChI=1S/C14H16FNO2/c15-10-3-1-4-11(17)12(10)13(18)16-8-7-14(9-16)5-2-6-14/h1,3-4,17H,2,5-9H2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Gr�nenthal GmbH

Curated by ChEMBL


Assay Description
Inhibition of TNAS binding to human sepiapterin reductase by 19F-NMR spectra analysis

J Med Chem 62: 6391-6397 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00218
BindingDB Entry DOI: 10.7270/Q2JW8J6W
More data for this
Ligand-Target Pair