BDBM50179624 5-(2,3-dimethylphenoxy)-1-(5-(methylsulfonyl)pyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile::CHEMBL202856

SMILES: Cc1cccc(Oc2c(C#N)c(nn2-c2ccc(cn2)S(C)(=O)=O)C(F)(F)F)c1C

InChI Key: InChIKey=SYIHWPGCZMLNGC-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 = 50179624   

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
Cyclooxygenase-1 (Canis familiaris)	BDBM50179624 (5-(2,3-dimethylphenoxy)-1-(5-(methylsulfonyl)pyrid...) Show SMILES Cc1cccc(Oc2c(C#N)c(nn2-c2ccc(cn2)S(C)(=O)=O)C(F)(F)F)c1C Show InChI InChI=1S/C19H15F3N4O3S/c1-11-5-4-6-15(12(11)2)29-18-14(9-23)17(19(20,21)22)25-26(18)16-8-7-13(10-24-16)30(3,27)28/h4-8,10H,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	100	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
Cyclooxygenase-2 (Canis familiaris)	BDBM50179624 (5-(2,3-dimethylphenoxy)-1-(5-(methylsulfonyl)pyrid...) Show SMILES Cc1cccc(Oc2c(C#N)c(nn2-c2ccc(cn2)S(C)(=O)=O)C(F)(F)F)c1C Show InChI InChI=1S/C19H15F3N4O3S/c1-11-5-4-6-15(12(11)2)29-18-14(9-23)17(19(20,21)22)25-26(18)16-8-7-13(10-24-16)30(3,27)28/h4-8,10H,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	170	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