BDBM50176556 5-(2-methylcyclohexylamino)-1-(5-(methylsulfonyl)pyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile::CHEMBL382524

SMILES: CC1CCCCC1Nc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F

InChI Key: InChIKey=PDEDSKCRWCNEHE-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 = 50176556   

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)	BDBM50176556 (5-(2-methylcyclohexylamino)-1-(5-(methylsulfonyl)p...) Show SMILES CC1CCCCC1Nc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H20F3N5O2S/c1-11-5-3-4-6-14(11)24-17-13(9-22)16(18(19,20)21)25-26(17)15-8-7-12(10-23-15)29(2,27)28/h7-8,10-11,14,24H,3-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	297	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)	BDBM50176556 (5-(2-methylcyclohexylamino)-1-(5-(methylsulfonyl)p...) Show SMILES CC1CCCCC1Nc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H20F3N5O2S/c1-11-5-3-4-6-14(11)24-17-13(9-22)16(18(19,20)21)25-26(17)15-8-7-12(10-23-15)29(2,27)28/h7-8,10-11,14,24H,3-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+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