BDBM14798 Pyrazole carboxylic ester 21::ethyl 3,5-dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylate

SMILES: CCOC(=O)c1c(C)nn(c1C)-c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=MSYGAHOHLUJIKV-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 2 PDB IDs match 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 = 14798   

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))	BDBM14798 (Pyrazole carboxylic ester 21 | ethyl 3,5-dimethyl-...) Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3	PDB MMDB B.MOAD GoogleScholar	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	21	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 (crystal)
Phosphodiesterase Type 4 (PDE4B) (Homo sapiens (Human))	BDBM14798 (Pyrazole carboxylic ester 21 | ethyl 3,5-dimethyl-...) Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3	PDB MMDB B.MOAD DrugBank GoogleScholar	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	33	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 (crystal)