Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GMP synthase [glutamine-hydrolyzing]' and Ligand = 'BDBM50042853'   

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 synthase [glutamine-hydrolyzing] (Mus musculus)	BDBM50042853 (CHEMBL127366 | N-(4-Isothiocyanatomethyl-thiazol-2...) Show SMILES O=C(Nc1nc(CN=C=S)cs1)c1ccccc1 Show InChI InChI=1S/C12H9N3OS2/c16-11(9-4-2-1-3-5-9)15-12-14-10(7-18-12)6-13-8-17/h1-5,7H,6H2,(H,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description In vitro inhibitory activity against partially purified GMP synthetase in L1210 cells				J Med Chem 36: 3849-52 (1994) BindingDB Entry DOI: 10.7270/Q2W9588K
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