BDBM50279786 CHEMBL4166603

SMILES: Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCOCC1

InChI Key: InChIKey=JWWHVJJVQQTOPN-UHFFFAOYSA-N

Data: 1 KI

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 = 50279786   

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)	BDBM50279786 (CHEMBL4166603) Show SMILES Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCOCC1 Show InChI InChI=1S/C19H21ClN6O/c20-13-4-5-15-14(10-13)18(22-17-11-16(24-25-17)12-2-3-12)23-19(21-15)26-6-1-8-27-9-7-26/h4-5,10-12H,1-3,6-9H2,(H2,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of HMG-CoA reductase in rat liver microsomes				ACS Med Chem Lett 8: 1224-1229 (2017) Article DOI: 10.1021/acsmedchemlett.7b00239 BindingDB Entry DOI: 10.7270/Q2183910
					More data for this Ligand-Target Pair