BDBM14789 Pyrazole carboxylic ester 12::ethyl 1-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxylate

SMILES: CCOC(=O)c1c(C)nn(c1C)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=PHEZYPUTJBTEKX-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 = 14789   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D [372-376,381-715,S375G,I381V,S383G,G384S,V385H,K386M) (Homo sapiens (Human))	BDBM14789 (Pyrazole carboxylic ester 12 | ethyl 1-[3,5-bis(tr...) Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H14F6N2O2/c1-4-26-14(25)13-8(2)23-24(9(13)3)12-6-10(15(17,18)19)5-11(7-12)16(20,21)22/h5-7H,4H2,1-3H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Plexxikon					Assay Description Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...				Nat Biotechnol 23: 201-7 (2005) Article DOI: 10.1038/nbt1059 BindingDB Entry DOI: 10.7270/Q21N7ZCN
					More data for this Ligand-Target Pair				3D Structure (docked)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B [316-320,321-700,S319G,N320S,N321H,T322M] (Homo sapiens (Human))	BDBM14789 (Pyrazole carboxylic ester 12 | ethyl 1-[3,5-bis(tr...) Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H14F6N2O2/c1-4-26-14(25)13-8(2)23-24(9(13)3)12-6-10(15(17,18)19)5-11(7-12)16(20,21)22/h5-7H,4H2,1-3H3	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	7.5	30
Plexxikon					Assay Description Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...				Nat Biotechnol 23: 201-7 (2005) Article DOI: 10.1038/nbt1059 BindingDB Entry DOI: 10.7270/Q21N7ZCN
					More data for this Ligand-Target Pair				3D Structure (docked)