BDBM50381137 CHEMBL2017738

SMILES: CN(C)[C@@H]1CCN(C1)c1cc(Nc2ccccn2)nc(n1)-c1cccc(c1)C#N

InChI Key: InChIKey=RVONZPKUQHHDTQ-GOSISDBHSA-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 = 50381137   

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)	BDBM50381137 (CHEMBL2017738) Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(Nc2ccccn2)nc(n1)-c1cccc(c1)C#N |r| Show InChI InChI=1S/C22H23N7/c1-28(2)18-9-11-29(15-18)21-13-20(25-19-8-3-4-10-24-19)26-22(27-21)17-7-5-6-16(12-17)14-23/h3-8,10,12-13,18H,9,11,15H2,1-2H3,(H,24,25,26,27)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.99E+3	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