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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sepiapterin reductase' and Ligand = 'BDBM50515133'   
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))		BDBM50515133
PNG
(CHEMBL4438507)
Show SMILES Oc1cc(Cl)ccc1C(=O)N1CCC2(CCC2)C1
Show InChI InChI=1S/C14H16ClNO2/c15-10-2-3-11(12(17)8-10)13(18)16-7-6-14(9-16)4-1-5-14/h2-3,8,17H,1,4-7,9H2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.04E+3n/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