BDBM50424589 CHEMBL1229721::DNDI1246776

SMILES: COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1

InChI Key: InChIKey=VJYIFXVZLXQVHO-UHFFFAOYSA-N

Data: 1 KI

PDB links: 2 PDB IDs match this monomer.

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 1 hit for monomerid = 50424589   

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
Acetolactate synthase catalytic subunit, mitochondrial (Saccharomyces cerevisiae)	BDBM50424589 (CHEMBL1229721 | DNDI1246776) Show SMILES COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1 Show InChI InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae acetohydroxyacid synthase by colorimetric assay				J Med Chem 56: 210-9 (2013) Article DOI: 10.1021/jm301501k BindingDB Entry DOI: 10.7270/Q22Z16TH
					More data for this Ligand-Target Pair				3D Structure (crystal)