BDBM50365476 CHEMBL1957361
SMILES: CCOc1ccccc1-c1ccc(cc1)-c1nc2ccncc2c(O)c1C#N
InChI Key: InChIKey=IMYDUDGJIZQSHN-UHFFFAOYSA-N
Data: 2 IC50
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50365476 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 and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50365476
(CHEMBL1957361)Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccncc2c(O)c1C#N Show InChI InChI=1S/C23H17N3O2/c1-2-28-21-6-4-3-5-17(21)15-7-9-16(10-8-15)22-18(13-24)23(27)19-14-25-12-11-20(19)26-22/h3-12,14H,2H2,1H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human PDE10A catalytic domain expressed in Escherichia coli BL21-Gold(DE3) by enzyme inhibition assay |
J Med Chem 56: 3228-34 (2013)
Article DOI: 10.1021/jm301665y BindingDB Entry DOI: 10.7270/Q2G1625N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50365476
(CHEMBL1957361)Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccncc2c(O)c1C#N Show InChI InChI=1S/C23H17N3O2/c1-2-28-21-6-4-3-5-17(21)15-7-9-16(10-8-15)22-18(13-24)23(27)19-14-25-12-11-20(19)26-22/h3-12,14H,2H2,1H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length PDE10A using cAMP as substrate preincubated for 20 mins measured after 4 hrs |
Bioorg Med Chem Lett 22: 1944-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.046 BindingDB Entry DOI: 10.7270/Q2KH0NTP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |