BDBM50090674 CHEMBL267744::Ticrynafen::Tienilic Acid::[2,3-Dichloro-4-(thiophene-2-carbonyl)-phenoxy]-acetic acid::[2,3-Dichloro-4-(thiophene-2-carbonyl)-phenoxy]-acetic acid (tienilic acid)::[2,3-Dichloro-4-(thiophene-2-carbonyl)-phenoxy]-acetic acid(Tienilic acid)::[2,3-Dichloro-4-(thiophene-2-carbonyl)-phenoxy]-acetic acid(ticrynafen)

SMILES: OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl

InChI Key: InChIKey=AGHANLSBXUWXTB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50090674   

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))	BDBM50090674 (CHEMBL267744 | Ticrynafen | Tienilic Acid | [2,3-D...) Show SMILES OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl Show InChI InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Mechanism based inhibition of human cytochrome P450 2C9 measured by 7-EFC O-deethylation				Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50090674 (CHEMBL267744 | Ticrynafen | Tienilic Acid | [2,3-D...) Show SMILES OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl Show InChI InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme				J Med Chem 43: 2789-96 (2000) BindingDB Entry DOI: 10.7270/Q2K64H9Q
					More data for this Ligand-Target Pair