BDBM50236274 CHEMBL4090625
SMILES: Cc1cc(C2CN(CC(F)(F)C2)C(=O)c2ccc(F)cc2)n2ncnc2n1
InChI Key: InChIKey=IWFCNIDUKUQMFM-UHFFFAOYSA-N
Data: 1 IC50
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50236274 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 |
Homo sapiens phosphodiesterase 2A (PDE2A)
(Homo sapiens (Human)) | BDBM50236274
(CHEMBL4090625 | US11186582, Example 246)Show SMILES Cc1cc(C2CN(CC(F)(F)C2)C(=O)c2ccc(F)cc2)n2ncnc2n1 Show InChI InChI=1S/C18H16F3N5O/c1-11-6-15(26-17(24-11)22-10-23-26)13-7-18(20,21)9-25(8-13)16(27)12-2-4-14(19)5-3-12/h2-6,10,13H,7-9H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | 3D Structure (crystal) |
Homo sapiens phosphodiesterase 2A (PDE2A)
(Homo sapiens (Human)) | BDBM50236274
(CHEMBL4090625 | US11186582, Example 246)Show SMILES Cc1cc(C2CN(CC(F)(F)C2)C(=O)c2ccc(F)cc2)n2ncnc2n1 Show InChI InChI=1S/C18H16F3N5O/c1-11-6-15(26-17(24-11)22-10-23-26)13-7-18(20,21)9-25(8-13)16(27)12-2-4-14(19)5-3-12/h2-6,10,13H,7-9H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 679 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Agonistic activity evaluated in CHO(Chinese hamster ovary) cells expressing mGluR2 receptor |
J Med Chem 60: 2037-2051 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01793 BindingDB Entry DOI: 10.7270/Q2Q242GF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |