BDBM50179631 5-(sec-butylthio)-1-(5-(methylsulfonyl)pyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile::CHEMBL204707

SMILES: CCC(C)Sc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F

InChI Key: InChIKey=WUZXVPHRMQGZGN-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 = 50179631   

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
Prostaglandin G/H synthase 1 (Canis familiaris)	BDBM50179631 (5-(sec-butylthio)-1-(5-(methylsulfonyl)pyridin-2-y...) Show SMILES CCC(C)Sc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C15H15F3N4O2S2/c1-4-9(2)25-14-11(7-19)13(15(16,17)18)21-22(14)12-6-5-10(8-20-12)26(3,23)24/h5-6,8-9H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX1 by canine whole blood assay				Bioorg Med Chem Lett 16: 1202-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.110 BindingDB Entry DOI: 10.7270/Q2FT8KKM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50179631 (5-(sec-butylthio)-1-(5-(methylsulfonyl)pyridin-2-y...) Show SMILES CCC(C)Sc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C15H15F3N4O2S2/c1-4-9(2)25-14-11(7-19)13(15(16,17)18)21-22(14)12-6-5-10(8-20-12)26(3,23)24/h5-6,8-9H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 by canine whole blood assay				Bioorg Med Chem Lett 16: 1202-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.110 BindingDB Entry DOI: 10.7270/Q2FT8KKM
					More data for this Ligand-Target Pair