BDBM50429044 CHEMBL2334893::US9359372, DC037029
SMILES: COc1cc2CCN3Cc4cc5OCOc5cc4C[C@H]3c2cc1O
InChI Key: InChIKey=CIEGYDLRUMZWQS-HNNXBMFYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
D(1A) dopamine receptor (Homo sapiens (Human)) | BDBM50429044 (CHEMBL2334893 | US9359372, DC037029) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 4.20 | -11.6 | 8.19 | n/a | n/a | n/a | n/a | n/a | 30 |
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES US Patent | Assay Description Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto... | US Patent US9359372 (2016) BindingDB Entry DOI: 10.7270/Q2736PSP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (Homo sapiens (Human)) | BDBM50429044 (CHEMBL2334893 | US9359372, DC037029) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter | Bioorg Med Chem 21: 856-68 (2013) Article DOI: 10.1016/j.bmc.2012.12.016 BindingDB Entry DOI: 10.7270/Q2JD4Z4M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50429044 (CHEMBL2334893 | US9359372, DC037029) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]spiperone from dopamine D2 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter | Bioorg Med Chem 21: 856-68 (2013) Article DOI: 10.1016/j.bmc.2012.12.016 BindingDB Entry DOI: 10.7270/Q2JD4Z4M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50429044 (CHEMBL2334893 | US9359372, DC037029) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 32.2 | -10.4 | 91.1 | n/a | n/a | n/a | n/a | n/a | 30 |
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES US Patent | Assay Description Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto... | US Patent US9359372 (2016) BindingDB Entry DOI: 10.7270/Q2736PSP | |||||||||||
More data for this Ligand-Target Pair |