Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Inosine-5'-monophosphate dehydrogenase' and Ligand = 'BDBM50378053'   

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 (Bacillus anthracis)	BDBM50378053 (CHEMBL564117) Show SMILES Clc1ccc(NC(=O)C(Oc2cccc3ccccc23)C2CC2)cc1 Show InChI InChI=1S/C21H18ClNO2/c22-16-10-12-17(13-11-16)23-21(24)20(15-8-9-15)25-19-7-3-5-14-4-1-2-6-18(14)19/h1-7,10-13,15,20H,8-9H2,(H,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50378053 (CHEMBL564117) Show SMILES Clc1ccc(NC(=O)C(Oc2cccc3ccccc23)C2CC2)cc1 Show InChI InChI=1S/C21H18ClNO2/c22-16-10-12-17(13-11-16)23-21(24)20(15-8-9-15)25-19-7-3-5-14-4-1-2-6-18(14)19/h1-7,10-13,15,20H,8-9H2,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia coli TX685 assessed as NADH production by fluorescence assay in absen...				J Med Chem 52: 4623-30 (2009) Article DOI: 10.1021/jm900410u BindingDB Entry DOI: 10.7270/Q2HM59C1
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50378053 (CHEMBL564117) Show SMILES Clc1ccc(NC(=O)C(Oc2cccc3ccccc23)C2CC2)cc1 Show InChI InChI=1S/C21H18ClNO2/c22-16-10-12-17(13-11-16)23-21(24)20(15-8-9-15)25-19-7-3-5-14-4-1-2-6-18(14)19/h1-7,10-13,15,20H,8-9H2,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Inhibition of Cryptosporidium IMPDH preincubated for 10 mins before substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair