BDBM50100961 CHEMBL3329563

SMILES: CN1CCN(CC1)C(=O)c1cc(NC(=O)NC(C)(C)c2cccc(c2)C(\C)=N\O)ccc1Cl

InChI Key: InChIKey=UMSBQBXESMWNSM-LQKURTRISA-N

Data: 2 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 2 hits for monomerid = 50100961   

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 (Bacillus anthracis)	BDBM50100961 (CHEMBL3329563) Show SMILES CN1CCN(CC1)C(=O)c1cc(NC(=O)NC(C)(C)c2cccc(c2)C(\C)=N\O)ccc1Cl Show InChI InChI=1S/C24H30ClN5O3/c1-16(28-33)17-6-5-7-18(14-17)24(2,3)27-23(32)26-19-8-9-21(25)20(15-19)22(31)30-12-10-29(4)11-13-30/h5-9,14-15,33H,10-13H2,1-4H3,(H2,26,27,32)/b28-16+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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, probable (Cryptosporidium parvum)	BDBM50100961 (CHEMBL3329563) Show SMILES CN1CCN(CC1)C(=O)c1cc(NC(=O)NC(C)(C)c2cccc(c2)C(\C)=N\O)ccc1Cl Show InChI InChI=1S/C24H30ClN5O3/c1-16(28-33)17-6-5-7-18(14-17)24(2,3)27-23(32)26-19-8-9-21(25)20(15-19)22(31)30-12-10-29(4)11-13-30/h5-9,14-15,33H,10-13H2,1-4H3,(H2,26,27,32)/b28-16+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	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