BDBM50306444 3-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-4-yl)benzonitrile::CHEMBL598105
SMILES: CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(c1)C#N
InChI Key: InChIKey=ALORGORVZSRMKI-AZGAKELHSA-N
Data: 4 KI
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)) | BDBM50306444 (3-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting | Bioorg Med Chem Lett 20: 832-5 (2010) Article DOI: 10.1016/j.bmcl.2009.12.094 BindingDB Entry DOI: 10.7270/Q2FX79JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1B) dopamine receptor (Homo sapiens (Human)) | BDBM50306444 (3-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting | Bioorg Med Chem Lett 20: 832-5 (2010) Article DOI: 10.1016/j.bmcl.2009.12.094 BindingDB Entry DOI: 10.7270/Q2FX79JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50306444 (3-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 584 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting | Bioorg Med Chem Lett 20: 832-5 (2010) Article DOI: 10.1016/j.bmcl.2009.12.094 BindingDB Entry DOI: 10.7270/Q2FX79JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50306444 (3-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting | Bioorg Med Chem Lett 20: 832-5 (2010) Article DOI: 10.1016/j.bmcl.2009.12.094 BindingDB Entry DOI: 10.7270/Q2FX79JH | |||||||||||
More data for this Ligand-Target Pair |