BDBM50176537 1-(5-(methylsulfonyl)pyridin-2-yl)-5-(neopentylamino)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile::CHEMBL381879

SMILES: CC(C)(C)CNc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F

InChI Key: InChIKey=YHEILBLTEPVGOU-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 = 50176537   

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)	BDBM50176537 (1-(5-(methylsulfonyl)pyridin-2-yl)-5-(neopentylami...) Show SMILES CC(C)(C)CNc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C16H18F3N5O2S/c1-15(2,3)9-22-14-11(7-20)13(16(17,18)19)23-24(14)12-6-5-10(8-21-12)27(4,25)26/h5-6,8,22H,9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	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)	BDBM50176537 (1-(5-(methylsulfonyl)pyridin-2-yl)-5-(neopentylami...) Show SMILES CC(C)(C)CNc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C16H18F3N5O2S/c1-15(2,3)9-22-14-11(7-20)13(16(17,18)19)23-24(14)12-6-5-10(8-21-12)27(4,25)26/h5-6,8,22H,9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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