BDBM50373342 CHEMBL428967

SMILES: CCCCCCc1ccc(Oc2ccccc2NC(=O)c2ccno2)c(O)c1

InChI Key: InChIKey=QQDJZRQLNZZHFK-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 = 50373342   

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...)	BDBM50373342 (CHEMBL428967) Show SMILES CCCCCCc1ccc(Oc2ccccc2NC(=O)c2ccno2)c(O)c1 Show InChI InChI=1S/C22H24N2O4/c1-2-3-4-5-8-16-11-12-20(18(25)15-16)27-19-10-7-6-9-17(19)24-22(26)21-13-14-23-28-21/h6-7,9-15,25H,2-5,8H2,1H3,(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	3.11E+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...)	BDBM50373342 (CHEMBL428967) Show SMILES CCCCCCc1ccc(Oc2ccccc2NC(=O)c2ccno2)c(O)c1 Show InChI InChI=1S/C22H24N2O4/c1-2-3-4-5-8-16-11-12-20(18(25)15-16)27-19-10-7-6-9-17(19)24-22(26)21-13-14-23-28-21/h6-7,9-15,25H,2-5,8H2,1H3,(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	3.22E+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