BDBM14796 Pyrazole carboxylic ester 19::ethyl 1-(4-aminophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
SMILES: CCOC(=O)c1c(C)nn(c1C)-c1ccc(N)cc1
InChI Key: InChIKey=FIEYZIRYXYDMSK-UHFFFAOYSA-N
Data: 4 IC50
PDB links: 1 PDB ID matches this monomer. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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 (PDE4B) (Homo sapiens (Human)) | BDBM14796 (Pyrazole carboxylic ester 19 | ethyl 1-(4-aminophe...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 350 | 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) | ||||||||||||
3',5'-cyclic phosphodiesterase (Homo sapiens (Human)) | BDBM14796 (Pyrazole carboxylic ester 19 | ethyl 1-(4-aminophe...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Amsterdam Curated by ChEMBL | Assay Description Inhibition of human His-tagged PDE4D catalytic domain expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP or [3H]cGMP as substrate... | J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
3',5'-cyclic phosphodiesterase (Homo sapiens (Human)) | BDBM14796 (Pyrazole carboxylic ester 19 | ethyl 1-(4-aminophe...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Amsterdam Curated by ChEMBL | Assay Description Inhibition of human His-tagged PDE4D catalytic domain expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP or [3H]cGMP as substrate... | J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Phosphodiesterase Type 4 (PDE4D) (Homo sapiens (Human)) | BDBM14796 (Pyrazole carboxylic ester 19 | ethyl 1-(4-aminophe...) | 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 | 160 | 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) |