BDBM50373335 CHEMBL258931

SMILES: CCCCCCc1ccc(Oc2ncccn2)c(O)c1

InChI Key: InChIKey=CWDKJRBSXCNZHS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50373335   

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-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373335 (CHEMBL258931) Show SMILES CCCCCCc1ccc(Oc2ncccn2)c(O)c1 Show InChI InChI=1S/C16H20N2O2/c1-2-3-4-5-7-13-8-9-15(14(19)12-13)20-16-17-10-6-11-18-16/h6,8-12,19H,2-5,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis InhA				Citation and Details Article DOI: 10.1007/s00044-010-9518-8 BindingDB Entry DOI: 10.7270/Q2MG7SC4
					More data for this Ligand-Target Pair
Enoyl-ACP Reductase (InhA) (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373335 (CHEMBL258931) Show SMILES CCCCCCc1ccc(Oc2ncccn2)c(O)c1 Show InChI InChI=1S/C16H20N2O2/c1-2-3-4-5-7-13-8-9-15(14(19)12-13)20-16-17-10-6-11-18-16/h6,8-12,19H,2-5,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	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