BDBM50381106 CHEMBL2017870

SMILES: CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(Cl)ccn2)nc(n1)-c1ccccc1

InChI Key: InChIKey=OEMKIVSYIQBSIJ-QGZVFWFLSA-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 = 50381106   

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)	BDBM50381106 (CHEMBL2017870) Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(Cl)ccn2)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C21H23ClN6/c1-27(2)17-9-11-28(14-17)20-13-19(24-18-12-16(22)8-10-23-18)25-21(26-20)15-6-4-3-5-7-15/h3-8,10,12-13,17H,9,11,14H2,1-2H3,(H,23,24,25,26)/t17-/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	176	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
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