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SMILES: COc1cc(cc(OC)c1OC)C(=O)N1CCCC(C1)c1ccnc2ncnn12

InChI Key:

PDB links: 1 PDB ID matches 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 8 hits for monomerid = 50547750   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50547750 (CHEMBL4800314) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCCC(C1)c1ccnc2ncnn12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 6xHis-tagged human recombinant PDE4D3 expressed in Sf9 cells by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01272 BindingDB Entry DOI: 10.7270/Q22Z194S
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM50547750 (CHEMBL4800314) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCCC(C1)c1ccnc2ncnn12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 6xHis-tagged human recombinant PDE1B1 expressed in HEK cells by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01272 BindingDB Entry DOI: 10.7270/Q22Z194S
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50547750 (CHEMBL4800314) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCCC(C1)c1ccnc2ncnn12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 6xHis-tagged human recombinant PDE2A expressed in Sf9 cells in presence of [3H]-cGMP and cGMP incubated for 40 mins by scintillation co...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01272 BindingDB Entry DOI: 10.7270/Q22Z194S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A (Homo sapiens (Human))	BDBM50547750 (CHEMBL4800314) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCCC(C1)c1ccnc2ncnn12 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 6xHis-tagged human recombinant PDE11A4 expressed in HEK cells by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01272 BindingDB Entry DOI: 10.7270/Q22Z194S
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50547750 (CHEMBL4800314) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCCC(C1)c1ccnc2ncnn12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	551	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 6xHis-tagged rat recombinant PDE10A2 expressed in Sf9 cells in presence of [3H]-cAMP and cAMP incubated for 60 mins by scintillation co...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01272 BindingDB Entry DOI: 10.7270/Q22Z194S
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50547750 (CHEMBL4800314) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCCC(C1)c1ccnc2ncnn12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 6xHis-tagged human recombinant PDE7A1 expressed in Sf9 cells by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01272 BindingDB Entry DOI: 10.7270/Q22Z194S
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50547750 (CHEMBL4800314) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCCC(C1)c1ccnc2ncnn12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 6xHis-tagged human recombinant PDE9A1 expressed in Sf9 cells by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01272 BindingDB Entry DOI: 10.7270/Q22Z194S
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50547750 (CHEMBL4800314) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCCC(C1)c1ccnc2ncnn12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 6xHis-tagged human recombinant PDE3A expressed in Sf9 cells in presence of [3H]-cAMP and cAMP incubated for 60 mins by scintillation co...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01272 BindingDB Entry DOI: 10.7270/Q22Z194S
					More data for this Ligand-Target Pair