BDBM14792 Pyrazole carboxylic ester 15::ethyl 1-(4-tert-butylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate

SMILES: CCOC(=O)c1c(C)nn(c1C)-c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=CVYBKUCXOQVOBW-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 2 PDB IDs contain inhibitors having a similarity of 90% to 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 = 14792   

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))	BDBM14792 (Pyrazole carboxylic ester 15 | ethyl 1-(4-tert-but...) Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C18H24N2O2/c1-7-22-17(21)16-12(2)19-20(13(16)3)15-10-8-14(9-11-15)18(4,5)6/h8-11H,7H2,1-6H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+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))	BDBM14792 (Pyrazole carboxylic ester 15 | ethyl 1-(4-tert-but...) Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C18H24N2O2/c1-7-22-17(21)16-12(2)19-20(13(16)3)15-10-8-14(9-11-15)18(4,5)6/h8-11H,7H2,1-6H3	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+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) Article DOI: 10.1038/nbt1059 BindingDB Entry DOI: 10.7270/Q21N7ZCN
					More data for this Ligand-Target Pair				3D Structure (docked)