BDBM50364345 CHEMBL1949942
SMILES: COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cncs3)c2c1
InChI Key: InChIKey=VOUAUMKVLOMARH-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50364345 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)) | BDBM50364345
(CHEMBL1949942)Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cncs3)c2c1 Show InChI InChI=1S/C17H16N4O2S/c1-8-4-10(23-3)5-11-14(16(22)12-6-18-7-24-12)13-9(2)20-21-17(13)19-15(8)11/h4-7,16,22H,1-3H3,(H,19,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay |
Bioorg Med Chem Lett 22: 1335-9 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50364345
(CHEMBL1949942)Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cncs3)c2c1 Show InChI InChI=1S/C17H16N4O2S/c1-8-4-10(23-3)5-11-14(16(22)12-6-18-7-24-12)13-9(2)20-21-17(13)19-15(8)11/h4-7,16,22H,1-3H3,(H,19,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Time dependent inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 1335-9 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF |
More data for this Ligand-Target Pair | |