BindingDB PrimarySearch

null

SMILES: CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1)-c1ccc(Cl)s1

InChI Key: InChIKey=FDVSPBLZPJMXFV-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50346121
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50346121 (2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 19: 3174-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.121 BindingDB Entry DOI: 10.7270/Q26110NQ
Asahi Kasei Pharma Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50346121 (2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Northern Illinois University Curated by ChEMBL					Assay Description Inhibition of human PDE4B1				Bioorg Med Chem Lett 24: 4031-4 (2014) Article DOI: 10.1016/j.bmcl.2014.06.002 BindingDB Entry DOI: 10.7270/Q2KD20KD
Northern Illinois University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50346121 (2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG 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
Northern Illinois University Curated by ChEMBL					Assay Description Inhibition of human PDE4D7				Bioorg Med Chem Lett 24: 4031-4 (2014) Article DOI: 10.1016/j.bmcl.2014.06.002 BindingDB Entry DOI: 10.7270/Q2KD20KD
Northern Illinois University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50346121 (2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates				Bioorg Med Chem Lett 19: 3174-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.121 BindingDB Entry DOI: 10.7270/Q26110NQ
Asahi Kasei Pharma Corporation Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50346121 (2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human PDE4D3 incubated for 10 mins using cAMP and [3H]cAMP substrates				Bioorg Med Chem Lett 19: 3174-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.121 BindingDB Entry DOI: 10.7270/Q26110NQ
Asahi Kasei Pharma Corporation Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50346121 (2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PDE4B1 catalytic domain (324 to 691 residues) expressed in baculovirus infected sf9 cells using cAMP as su...				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813 BindingDB Entry DOI: 10.7270/Q2RX9GJ4
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50346121 (2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 19: 3174-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.121 BindingDB Entry DOI: 10.7270/Q26110NQ
Asahi Kasei Pharma Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50346121 (2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 19: 3174-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.121 BindingDB Entry DOI: 10.7270/Q26110NQ
Asahi Kasei Pharma Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50346121 (2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 3174-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.121 BindingDB Entry DOI: 10.7270/Q26110NQ
Asahi Kasei Pharma Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50346121 (2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PDE4B1 catalytic domain (324 to 691 residues) expressed in baculovirus infected sf9 cells using cAMP as su...				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813 BindingDB Entry DOI: 10.7270/Q2RX9GJ4
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50346121 (2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 19: 3174-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.121 BindingDB Entry DOI: 10.7270/Q26110NQ
Asahi Kasei Pharma Corporation Curated by ChEMBL					More data for this Ligand-Target Pair