Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GMP reductase 2' and Ligand = 'BDBM50456080'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
GMP reductase 2 (Homo sapiens)	BDBM50456080 (CHEMBL4215780) Show SMILES COc1ccc(cc1)-c1cn2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3Cl)ccc2n1 |r| Show InChI InChI=1S/C23H19Cl2N3O3/c1-14(31-20-5-3-4-18(24)22(20)25)23(29)26-16-8-11-21-27-19(13-28(21)12-16)15-6-9-17(30-2)10-7-15/h3-14H,1-2H3,(H,26,29)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
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