BDBM50236235 CHEMBL4066029
SMILES: Cc1cc(C2CCCN(C2)C(=O)c2ccc3ccccc3c2)n2ncnc2n1
InChI Key: InChIKey=TXIOKRWXRUIBEA-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 = 50236235 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)) | US11186582, Example 4
(CHEMBL4066029)Show SMILES Cc1cc(C2CCCN(C2)C(=O)c2ccc3ccccc3c2)n2ncnc2n1 Show InChI InChI=1S/C22H21N5O/c1-15-11-20(27-22(25-15)23-14-24-27)19-7-4-10-26(13-19)21(28)18-9-8-16-5-2-3-6-17(16)12-18/h2-3,5-6,8-9,11-12,14,19H,4,7,10,13H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB
| n/a | n/a | <100 | 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)) | BDBM50236235
(CHEMBL4066029)Show SMILES Cc1cc(C2CCCN(C2)C(=O)c2ccc3ccccc3c2)n2ncnc2n1 Show InChI InChI=1S/C22H21N5O/c1-15-11-20(27-22(25-15)23-14-24-27)19-7-4-10-26(13-19)21(28)18-9-8-16-5-2-3-6-17(16)12-18/h2-3,5-6,8-9,11-12,14,19H,4,7,10,13H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured ... |
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) |