BDBM50480870 CHEMBL571713

SMILES: COc1cc(NC(=O)CCc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)cc1Cl

InChI Key: InChIKey=NDZJQDZKTAJEHO-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 = 50480870   

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
DNA-binding transcriptional activator DevR/DosR (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50480870 (CHEMBL571713) Show SMILES COc1cc(NC(=O)CCc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)cc1Cl Show InChI InChI=1S/C25H25Cl2NO5/c1-30-22-14-20(23(31-2)13-19(22)27)28-25(29)11-7-16-6-10-21(24(12-16)32-3)33-15-17-4-8-18(26)9-5-17/h4-6,8-10,12-14H,7,11,15H2,1-3H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis phosphorylated DevR binding to fdxA promoter DNA after 10 mins by EMSA				J Med Chem 52: 6324-34 (2009) Article DOI: 10.1021/jm900358q BindingDB Entry DOI: 10.7270/Q2765J5M
					More data for this Ligand-Target Pair
DNA-binding transcriptional activator DevR/DosR (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50480870 (CHEMBL571713) Show SMILES COc1cc(NC(=O)CCc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)cc1Cl Show InChI InChI=1S/C25H25Cl2NO5/c1-30-22-14-20(23(31-2)13-19(22)27)28-25(29)11-7-16-6-10-21(24(12-16)32-3)33-15-17-4-8-18(26)9-5-17/h4-6,8-10,12-14H,7,11,15H2,1-3H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.48E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of DevR region-dependent Rv3134c promoter activity in Mycobacterium tuberculosis H37Rv after 48 hrs by GFP reporter gene assay				J Med Chem 52: 6324-34 (2009) Article DOI: 10.1021/jm900358q BindingDB Entry DOI: 10.7270/Q2765J5M
					More data for this Ligand-Target Pair