Found 3 hits for monomerid = 50364343 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)) | BDBM50364343
(CHEMBL1950080)Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(C#N)c3ccccc3)c2c1 Show InChI InChI=1S/C21H18N4O/c1-12-9-15(26-3)10-16-19(17(11-22)14-7-5-4-6-8-14)18-13(2)24-25-21(18)23-20(12)16/h4-10,17H,1-3H3,(H,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | 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)) | BDBM50364343
(CHEMBL1950080)Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(C#N)c3ccccc3)c2c1 Show InChI InChI=1S/C21H18N4O/c1-12-9-15(26-3)10-16-19(17(11-22)14-7-5-4-6-8-14)18-13(2)24-25-21(18)23-20(12)16/h4-10,17H,1-3H3,(H,23,24,25) | 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 | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Reversible 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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50364343
(CHEMBL1950080)Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(C#N)c3ccccc3)c2c1 Show InChI InChI=1S/C21H18N4O/c1-12-9-15(26-3)10-16-19(17(11-22)14-7-5-4-6-8-14)18-13(2)24-25-21(18)23-20(12)16/h4-10,17H,1-3H3,(H,23,24,25) | 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 | 2.00E+4 | 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 | |