Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inosine-5'-monophosphate dehydrogenase' and Ligand = 'BDBM50535246'   

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
Inosine-5'-monophosphate dehydrogenase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50535246 (CHEMBL4551062) Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(nc2[nH]nc(-c3ccc(C)cc3)c12)C(O)=O Show InChI InChI=1S/C22H18N4O3/c1-12-3-5-15(6-4-12)20-19-17(11-18(22(28)29)24-21(19)26-25-20)14-7-9-16(10-8-14)23-13(2)27/h3-11H,1-2H3,(H,23,27)(H,28,29)(H,24,25,26)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
France; Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs				Eur J Med Chem 167: 124-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.064 BindingDB Entry DOI: 10.7270/Q2XK8K1C
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