BDBM50373341 CHEMBL405653

SMILES: CCCCCCc1ccc(Oc2cccc(NC(=O)c3ccno3)c2)c(O)c1

InChI Key: InChIKey=ZCNADFROJSFCQO-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 = 50373341   

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...)	BDBM50373341 (CHEMBL405653) Show SMILES CCCCCCc1ccc(Oc2cccc(NC(=O)c3ccno3)c2)c(O)c1 Show InChI InChI=1S/C22H24N2O4/c1-2-3-4-5-7-16-10-11-20(19(25)14-16)27-18-9-6-8-17(15-18)24-22(26)21-12-13-23-28-21/h6,8-15,25H,2-5,7H2,1H3,(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.20E+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...)	BDBM50373341 (CHEMBL405653) Show SMILES CCCCCCc1ccc(Oc2cccc(NC(=O)c3ccno3)c2)c(O)c1 Show InChI InChI=1S/C22H24N2O4/c1-2-3-4-5-7-16-10-11-20(19(25)14-16)27-18-9-6-8-17(15-18)24-22(26)21-12-13-23-28-21/h6,8-15,25H,2-5,7H2,1H3,(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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