BDBM50176548 5-(bicyclo[2.2.1]heptan-2-ylamino)-3-(difluoromethyl)-1-(5-(methylsulfonyl)pyridin-2-yl)-1H-pyrazole-4-carbonitrile::CHEMBL199681

SMILES: CS(=O)(=O)c1ccc(nc1)-n1nc(C(F)F)c(C#N)c1NC1CC2CCC1C2

InChI Key: InChIKey=BITIDZWJAWDFKI-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 = 50176548   

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)	BDBM50176548 (5-(bicyclo[2.2.1]heptan-2-ylamino)-3-(difluorometh...) Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(C(F)F)c(C#N)c1NC1CC2CCC1C2 |TLB:20:21:25.24:27| Show InChI InChI=1S/C18H19F2N5O2S/c1-28(26,27)12-4-5-15(22-9-12)25-18(13(8-21)16(24-25)17(19)20)23-14-7-10-2-3-11(14)6-10/h4-5,9-11,14,17,23H,2-3,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	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)	BDBM50176548 (5-(bicyclo[2.2.1]heptan-2-ylamino)-3-(difluorometh...) Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(C(F)F)c(C#N)c1NC1CC2CCC1C2 |TLB:20:21:25.24:27| Show InChI InChI=1S/C18H19F2N5O2S/c1-28(26,27)12-4-5-15(22-9-12)25-18(13(8-21)16(24-25)17(19)20)23-14-7-10-2-3-11(14)6-10/h4-5,9-11,14,17,23H,2-3,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+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