BDBM14779 Pyrazole carboxylic ester 2::ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate

SMILES: CCOC(=O)c1c(C)n[nH]c1C

InChI Key: InChIKey=BCKARVLFIJPHQU-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 14779   

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
Phosphodiesterase Type 4 (PDE4D) (Homo sapiens (human))	BDBM14779 (Pyrazole carboxylic ester 2 | ethyl 3,5-dimethyl-1...) Show SMILES CCOC(=O)c1c(C)n[nH]c1C Show InChI InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	8.20E+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)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase Type 4 (PDE4B) (Homo sapiens (human))	BDBM14779 (Pyrazole carboxylic ester 2 | ethyl 3,5-dimethyl-1...) Show SMILES CCOC(=O)c1c(C)n[nH]c1C Show InChI InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.00E+4	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)
					More data for this Ligand-Target Pair				3D Structure (crystal)