Identical Ligands in BindingDB

Found 4 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	koff s-1	kon M-1s-1	pH	Temp °C
cAMP-specific 3',5'-cyclic phosphodiesterase 4A   (333/333 = 100%)† (Homo sapiens (Human))	BDBM50010981 ((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...) Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay				J Med Chem 54: 3331-47 (2011) Article DOI: 10.1021/jm200070e BindingDB Entry DOI: 10.7270/Q2CF9R75
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D   (333/333 = 100%)† (Homo sapiens (Human))	BDBM50010981 ((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...) Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Inhibitory activity against Phosphodiesterase 4 from heart.				J Med Chem 40: 3248-53 (1997) Article DOI: 10.1021/jm970089s BindingDB Entry DOI: 10.7270/Q2K93B7D
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D   (333/333 = 100%)† (Homo sapiens (Human))	BDBM50010981 ((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...) Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Neurochimie du CNRS Curated by ChEMBL					Assay Description Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cAMP for cAMP-PDE.				J Med Chem 32: 1450-7 (1989) BindingDB Entry DOI: 10.7270/Q2DN441H
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A   (333/333 = 100%)† (Homo sapiens (Human))	BDBM50010981 ((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...) Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci				J Med Chem 54: 3331-47 (2011) Article DOI: 10.1021/jm200070e BindingDB Entry DOI: 10.7270/Q2CF9R75
					More data for this Ligand-Target Pair				3D Structure (crystal)

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