BDBM50398426 CHEMBL2178638

SMILES: CC(=O)c1cccc(CNC(=O)Nc2ccc(Cl)cc2)c1

InChI Key: InChIKey=UPQVCGSKRBMVRP-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50398426   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Inosine-5'-monophosphate dehydrogenase, probable (Cryptosporidium parvum)	BDBM50398426 (CHEMBL2178638) Show SMILES CC(=O)c1cccc(CNC(=O)Nc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C16H15ClN2O2/c1-11(20)13-4-2-3-12(9-13)10-18-16(21)19-15-7-5-14(17)6-8-15/h2-9H,10H2,1H3,(H2,18,19,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
Inosine-5-monophosphate dehydrogenase (IMPDH) (Cryptosporidium parvum)	BDBM50398426 (CHEMBL2178638) Show SMILES CC(=O)c1cccc(CNC(=O)Nc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C16H15ClN2O2/c1-11(20)13-4-2-3-12(9-13)10-18-16(21)19-15-7-5-14(17)6-8-15/h2-9H,10H2,1H3,(H2,18,19,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 assessed as production of NADH incubated for 5 mins by fluoresce...				J Med Chem 55: 7759-71 (2012) Article DOI: 10.1021/jm3007917 BindingDB Entry DOI: 10.7270/Q2GM88GS
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis)	BDBM50398426 (CHEMBL2178638) Show SMILES CC(=O)c1cccc(CNC(=O)Nc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C16H15ClN2O2/c1-11(20)13-4-2-3-12(9-13)10-18-16(21)19-15-7-5-14(17)6-8-15/h2-9H,10H2,1H3,(H2,18,19,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	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