BDBM50373338 CHEMBL429332

SMILES: CCCCCCc1ccc(Oc2ncccn2)c(OC)c1

InChI Key: InChIKey=UIFANQCPIJLKBV-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 = 50373338   

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
Enoyl-ACP Reductase (InhA) (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373338 (CHEMBL429332) Show SMILES CCCCCCc1ccc(Oc2ncccn2)c(OC)c1 Show InChI InChI=1S/C17H22N2O2/c1-3-4-5-6-8-14-9-10-15(16(13-14)20-2)21-17-18-11-7-12-19-17/h7,9-13H,3-6,8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of 100 nM Mycobacterium tuberculosis H37RV InhA				Bioorg Med Chem Lett 18: 3029-33 (2008) Article DOI: 10.1016/j.bmcl.2008.04.038 BindingDB Entry DOI: 10.7270/Q2SB46KT
					More data for this Ligand-Target Pair