BDBM50378050 CHEMBL557281

SMILES: CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=QZKIXDSVUHUHBH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50378050   

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)	BDBM50378050 (CHEMBL557281) Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C21H20ClNO2/c1-14(2)20(21(24)23-17-12-10-16(22)11-13-17)25-19-9-5-7-15-6-3-4-8-18(15)19/h3-14,20H,1-2H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	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)	BDBM50378050 (CHEMBL557281) Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C21H20ClNO2/c1-14(2)20(21(24)23-17-12-10-16(22)11-13-17)25-19-9-5-7-15-6-3-4-8-18(15)19/h3-14,20H,1-2H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	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 prese...				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 (IMPDH) (Cryptosporidium parvum)	BDBM50378050 (CHEMBL557281) Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C21H20ClNO2/c1-14(2)20(21(24)23-17-12-10-16(22)11-13-17)25-19-9-5-7-15-6-3-4-8-18(15)19/h3-14,20H,1-2H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	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 (Bacillus anthracis)	BDBM50378050 (CHEMBL557281) Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C21H20ClNO2/c1-14(2)20(21(24)23-17-12-10-16(22)11-13-17)25-19-9-5-7-15-6-3-4-8-18(15)19/h3-14,20H,1-2H3,(H,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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