BDBM50279799 CHEMBL4164081

SMILES: Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCCCC1

InChI Key: InChIKey=MYUNZVDJOMININ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50279799   

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)	BDBM50279799 (CHEMBL4164081) Show SMILES Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCCCC1 Show InChI InChI=1S/C20H23ClN6/c21-14-7-8-16-15(11-14)19(23-18-12-17(25-26-18)13-5-6-13)24-20(22-16)27-9-3-1-2-4-10-27/h7-8,11-13H,1-6,9-10H2,(H2,22,23,24,25,26)	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
Serine/threonine-protein kinase PknA (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50279799 (CHEMBL4164081) Show SMILES Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCCCC1 Show InChI InChI=1S/C20H23ClN6/c21-14-7-8-16-15(11-14)19(23-18-12-17(25-26-18)13-5-6-13)24-20(22-16)27-9-3-1-2-4-10-27/h7-8,11-13H,1-6,9-10H2,(H2,22,23,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.30E+4	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 Mycobacterium tuberculosis PknA (M1 to A296 residues) expressed in Escherichia coli BL21 (DE3) pLysS cells using [T-33P]ATP as substrat...				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