BDBM50100896 CHEMBL3329560

SMILES: Brc1ccc(NC(=O)COc2cccc3ccccc23)cc1

InChI Key: InChIKey=SHNXBKMYRCRCHQ-UHFFFAOYSA-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 = 50100896   

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)	BDBM50100896 (CHEMBL3329560) Show SMILES Brc1ccc(NC(=O)COc2cccc3ccccc23)cc1 Show InChI InChI=1S/C18H14BrNO2/c19-14-8-10-15(11-9-14)20-18(21)12-22-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	760	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)	BDBM50100896 (CHEMBL3329560) Show SMILES Brc1ccc(NC(=O)COc2cccc3ccccc23)cc1 Show InChI InChI=1S/C18H14BrNO2/c19-14-8-10-15(11-9-14)20-18(21)12-22-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents 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