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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GMP reductase 2' and Ligand = 'BDBM50456095'   
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
GMP reductase 2


(Homo sapiens)		BDBM50456095
PNG
(CHEMBL4216439)
Show SMILES C[C@H](Oc1cccc(F)c1C#N)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 |r|
Show InChI InChI=1S/C22H15FN4O3/c1-13(29-19-4-2-3-17(23)16(19)12-24)21(28)26-15-5-6-20-18(11-15)27-22(30-20)14-7-9-25-10-8-14/h2-11,13H,1H3,(H,26,28)/t13-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method

J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair