BDBM50139809 2-Amino-6-chloro-3-(2,4-dichloro-phenoxy)-benzenesulfonic acid::CHEMBL171828

SMILES: Nc1c(Oc2ccc(Cl)cc2Cl)ccc(Cl)c1S(O)(=O)=O

InChI Key: InChIKey=MBGCVMRGYAYUQK-UHFFFAOYSA-N

Data: 1 KI

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 = 50139809   

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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50139809 (2-Amino-6-chloro-3-(2,4-dichloro-phenoxy)-benzenes...) Show SMILES Nc1c(Oc2ccc(Cl)cc2Cl)ccc(Cl)c1S(O)(=O)=O Show InChI InChI=1S/C12H8Cl3NO4S/c13-6-1-3-9(8(15)5-6)20-10-4-2-7(14)12(11(10)16)21(17,18)19/h1-5H,16H2,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Binding affinity towards cytochrome P450 2C9				J Med Chem 47: 907-14 (2004) Article DOI: 10.1021/jm030972s BindingDB Entry DOI: 10.7270/Q2ZK5HF3
					More data for this Ligand-Target Pair