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
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)) | BDBM14798 (Pyrazole carboxylic ester 21 | ethyl 3,5-dimethyl-...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet | Purchase 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) | ||||||||||||
Phosphodiesterase Type 4 (PDE4D) (Homo sapiens (Human)) | BDBM14798 (Pyrazole carboxylic ester 21 | ethyl 3,5-dimethyl-...) | 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 | 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) | ||||||||||||
3',5'-cyclic phosphodiesterase (Homo sapiens (Human)) | BDBM14798 (Pyrazole carboxylic ester 21 | ethyl 3,5-dimethyl-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 33 | 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 PDE4B 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)) | BDBM14798 (Pyrazole carboxylic ester 21 | ethyl 3,5-dimethyl-...) | 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 | 21 | 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)) | BDBM14798 (Pyrazole carboxylic ester 21 | ethyl 3,5-dimethyl-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 33 | 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 PDE4B 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)) | BDBM14798 (Pyrazole carboxylic ester 21 | ethyl 3,5-dimethyl-...) | 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 | 21 | 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) |