Affinity Data by PDB ID

PDB code 1XOR

Identical Ligands in BindingDB

Found 9 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (291/344 = 85%)^† (Homo sapiens (Human))	BDBM14769 (6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...) Show SMILES COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description inhibition of cAMP-specific phosphodiesterase 4 (PDE4) was determined in cytosol from human neutrophils				J Med Chem 46: 2008-16 (2003) Article DOI: 10.1021/jm030776l BindingDB Entry DOI: 10.7270/Q2S1857B
Vrije Universiteit Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (291/344 = 85%)^† (Homo sapiens (Human))	BDBM14769 (6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...) Show SMILES COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of PDE4 in the cytosol of human neutrophils				J Med Chem 44: 2511-22 (2001) Article DOI: 10.1021/jm010837k BindingDB Entry DOI: 10.7270/Q27D2XWH
Vrije Universiteit Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (333/344 = 97%)^† (RAT-Rattus norvegicus)	BDBM14769 (6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...) Show SMILES COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against phosphodiesterase 4 (PDE4) from rat kidney				Bioorg Med Chem Lett 14: 2955-8 (2004) Article DOI: 10.1016/j.bmcl.2004.03.021 BindingDB Entry DOI: 10.7270/Q2M044W1
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D [372-376,381-715,S375G,I381V,S383G,G384S,V385H,K386M) (349/349 = 100%)^† (Homo sapiens (Human))	BDBM14769 (6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...) Show SMILES COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	390	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-...				Structure 12: 2233-47 (2004) Article DOI: 10.1016/j.str.2004.10.004 BindingDB Entry DOI: 10.7270/Q25B00Q1
Plexxikon					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (334/344 = 97%)^† (Homo sapiens (Human))	BDBM14769 (6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...) Show SMILES COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
King's College London Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem 18: 2204-18 (2010) Article DOI: 10.1016/j.bmc.2010.01.070 BindingDB Entry DOI: 10.7270/Q27945MJ
King's College London Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (334/344 = 97%)^† (Homo sapiens (Human))	BDBM14769 (6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...) Show SMILES COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	7.5	24
University of North Carolina					Assay Description Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.				J Biol Chem 287: 11788-97 (2012) Article DOI: 10.1074/jbc.M111.326777 BindingDB Entry DOI: 10.7270/Q2K9364D
University of North Carolina					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (291/344 = 85%)^† (Homo sapiens (Human))	BDBM14769 (6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...) Show SMILES COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 7081 Curated by ChEMBL					Assay Description In vitro inhibition of bovine smooth muscle phosphodiesterase 4				J Med Chem 48: 3816-22 (2005) Article DOI: 10.1021/jm050063y BindingDB Entry DOI: 10.7270/Q2BK1G4J
UMR CNRS 7081 Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (334/344 = 97%)^† (Homo sapiens (Human))	BDBM14769 (6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...) Show SMILES COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4D				J Med Chem 55: 7525-45 (2012) Article DOI: 10.1021/jm300514y BindingDB Entry DOI: 10.7270/Q2CC11TC
Universidade Federal do Rio de Janeiro Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (334/344 = 97%)^† (Homo sapiens (Human))	BDBM14769 (6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...) Show SMILES COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4D expressed in Escherichia coli assessed as increase in cAMP levels after 60 mins by BIOMOLGREEN dye-based assay				Eur J Med Chem 146: 139-146 (2018) Article DOI: 10.1016/j.ejmech.2018.01.035 BindingDB Entry DOI: 10.7270/Q27W6FQT
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

Reorder this table by ec50
Reorder this table by ic50
Reorder this table by Kd
Reorder this table by pH
Reorder this table by T
Reorder this table by ΔH°
Reorder this table by -TΔS°
Change energy units to: kcal/mole

Search BindingMOAD for More Affinity Data:

_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output