BDBM50425038 CHEMBL2312560

SMILES: OC(=O)COc1ccc2sc(CNc3nncc(n3)-c3c(Cl)cccc3Cl)nc2c1

InChI Key: InChIKey=VNZNZAJGDVEIIU-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches 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 = 50425038   

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
D-beta-D-heptose 7-phosphate kinase (Burkholderia cepacia (strain J2315 / LMG 16656) (B...)	BDBM50425038 (CHEMBL2312560) Show SMILES OC(=O)COc1ccc2sc(CNc3nncc(n3)-c3c(Cl)cccc3Cl)nc2c1 Show InChI InChI=1S/C19H13Cl2N5O3S/c20-11-2-1-3-12(21)18(11)14-7-23-26-19(25-14)22-8-16-24-13-6-10(29-9-17(27)28)4-5-15(13)30-16/h1-7H,8-9H2,(H,27,28)(H,22,25,26)	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
McMaster University Curated by ChEMBL					Assay Description Inhibition of Burkholderia cenocepacia HldA assessed as ATP depletion after 30 mins by luminescence assay				J Med Chem 56: 1405-17 (2013) Article DOI: 10.1021/jm301483h BindingDB Entry DOI: 10.7270/Q2W95BG3
					More data for this Ligand-Target Pair				3D Structure (crystal)