BDBM50381122 CHEMBL2017723

SMILES: C(Nc1nccc(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1

InChI Key: InChIKey=OIMKFLPRSBFHMX-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50381122   

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
Serine/threonine-protein kinase pknB (Mycobacterium tuberculosis)	BDBM50381122 (CHEMBL2017723) Show SMILES C(Nc1nccc(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1 Show InChI InChI=1S/C17H18N6/c1-2-4-12(5-3-1)11-19-17-18-9-8-15(21-17)20-16-10-14(22-23-16)13-6-7-13/h1-5,8-10,13H,6-7,11H2,(H3,18,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	715	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair