BDBM50397078 CHEMBL2171452
SMILES: COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
InChI Key: InChIKey=JPXAIORZGBCHIB-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Class I phosphodiesterase B1 (TbrPDEB1) (Trypanosoma brucei) | BDBM50397078 (CHEMBL2171452) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam Curated by ChEMBL | Assay Description Inhibition of Trypanosoma brucei His-tagged catalytic domains of TbrPDEB1 expressed in Escherichia coli BL21 assessed as conversion of cAMP to AMP af... | J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human)) | BDBM50397078 (CHEMBL2171452) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam Curated by ChEMBL | Assay Description Inhibition of human PDE4D3 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay | J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
3',5'-cyclic phosphodiesterase (Homo sapiens (Human)) | BDBM50397078 (CHEMBL2171452) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam Curated by ChEMBL | Assay Description Inhibition of human PDE4C1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay | J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Class I phosphodiesterase B1 (TbrPDEB1) (Trypanosoma brucei) | BDBM50397078 (CHEMBL2171452) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam Curated by ChEMBL | Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p... | J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human)) | BDBM50397078 (CHEMBL2171452) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam Curated by ChEMBL | Assay Description Inhibition of human PDE4A1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay | J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Class I phosphodiesterase PDEB1 (Leishmania major) | BDBM50397078 (CHEMBL2171452) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam Curated by ChEMBL | Assay Description Inhibition of Leishmania major recombinant PDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proxim... | J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3',5'-cyclic phosphodiesterase (Homo sapiens (Human)) | BDBM50397078 (CHEMBL2171452) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam Curated by ChEMBL | Assay Description Inhibition of human PDE4B1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay | J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 | |||||||||||
More data for this Ligand-Target Pair |