BDBM50176531 1-(5-methanesulfonyl-pyridin-2-yl)-5-(4-methyl-benzylamino)-3-trifluoromethyl-1H-pyrazole-4-carbonitrile::CHEMBL380595

SMILES: Cc1ccc(CNc2c(C#N)c(nn2-c2ccc(cn2)S(C)(=O)=O)C(F)(F)F)cc1

InChI Key: InChIKey=AGZUSBYIOAVFOC-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 = 50176531   

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-2 (Canis familiaris)	BDBM50176531 (1-(5-methanesulfonyl-pyridin-2-yl)-5-(4-methyl-ben...) Show SMILES Cc1ccc(CNc2c(C#N)c(nn2-c2ccc(cn2)S(C)(=O)=O)C(F)(F)F)cc1 Show InChI InChI=1S/C19H16F3N5O2S/c1-12-3-5-13(6-4-12)10-25-18-15(9-23)17(19(20,21)22)26-27(18)16-8-7-14(11-24-16)30(2,28)29/h3-8,11,25H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Veterinary Medicine Research and Development Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against COX2 in canine whole blood				Bioorg Med Chem Lett 16: 288-92 (2005) Article DOI: 10.1016/j.bmcl.2005.10.006 BindingDB Entry DOI: 10.7270/Q2NZ876S
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (Canis familiaris)	BDBM50176531 (1-(5-methanesulfonyl-pyridin-2-yl)-5-(4-methyl-ben...) Show SMILES Cc1ccc(CNc2c(C#N)c(nn2-c2ccc(cn2)S(C)(=O)=O)C(F)(F)F)cc1 Show InChI InChI=1S/C19H16F3N5O2S/c1-12-3-5-13(6-4-12)10-25-18-15(9-23)17(19(20,21)22)26-27(18)16-8-7-14(11-24-16)30(2,28)29/h3-8,11,25H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterinary Medicine Research and Development Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against COX1 in canine whole blood				Bioorg Med Chem Lett 16: 288-92 (2005) Article DOI: 10.1016/j.bmcl.2005.10.006 BindingDB Entry DOI: 10.7270/Q2NZ876S
					More data for this Ligand-Target Pair