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.

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 4 hits for monomerid = 14796   

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...) Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccc(N)cc1 Show InChI InChI=1S/C14H17N3O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-7-5-11(15)6-8-12/h5-8H,4,15H2,1-3H3	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...) Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccc(N)cc1 Show InChI InChI=1S/C14H17N3O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-7-5-11(15)6-8-12/h5-8H,4,15H2,1-3H3	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...) Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccc(N)cc1 Show InChI InChI=1S/C14H17N3O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-7-5-11(15)6-8-12/h5-8H,4,15H2,1-3H3	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...) Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccc(N)cc1 Show InChI InChI=1S/C14H17N3O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-7-5-11(15)6-8-12/h5-8H,4,15H2,1-3H3	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)