BDBM50004823 (6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexahydro-6H-7-aza-benzo[6,7]cyclohepta[1,2-a]naphthalen-12-ol::(6aS,13bR)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol::11-Chloro-7-methyl-5,6a,7,8,9,13b-hexahydro-6H-7-aza-benzo[6,7]cyclohepta[1,2-a]naphthalen-12-ol::CHEMBL298406::Ecopipam::SCH 39166::trans-(-) 11-Chloro-7-methyl-5,6a,7,8,9,13b-hexahydro-6H-7-aza-benzo[6,7]cyclohepta[1,2-a]naphthalen-12-ol
SMILES: CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
InChI Key: InChIKey=DMJWENQHWZZWDF-PKOBYXMFSA-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)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.20 | 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(1A) dopamine receptor (Homo sapiens (Human)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to dopamine D1 receptor | Bioorg Med Chem Lett 20: 836-40 (2010) Article DOI: 10.1016/j.bmcl.2009.12.100 BindingDB Entry DOI: 10.7270/Q23N23HT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (Homo sapiens (Human)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Royal Danish School of Pharmacy Curated by ChEMBL | Assay Description Binding affinity to displace [3H]-SCH- 23390 against Dopamine receptor D1 | J Med Chem 33: 2197-204 (1990) BindingDB Entry DOI: 10.7270/Q2TD9XZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (Homo sapiens (Human)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lund Curated by ChEMBL | Assay Description Compound was tested for the displacement of [3H]-SCH- 23390 from dopamine receptor D1 | J Med Chem 35: 502-7 (1992) BindingDB Entry DOI: 10.7270/Q2TH8N95 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (RAT) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation Curated by ChEMBL | Assay Description Inhibition of [3H]-SCH-23,390 binding to rat striatal homogenate dopamine receptor D1 | J Med Chem 32: 1913-21 (1989) BindingDB Entry DOI: 10.7270/Q2VQ31P4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1B) dopamine receptor (Homo sapiens (Human)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to dopamine D5 receptor | Bioorg Med Chem Lett 20: 836-40 (2010) Article DOI: 10.1016/j.bmcl.2009.12.100 BindingDB Entry DOI: 10.7270/Q23N23HT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1B) dopamine receptor (Homo sapiens (Human)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2 | 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(1A) dopamine receptor (RAT) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation Curated by PDSP Ki Database | J Pharmacol Exp Ther 247: 1093-102 (1988) BindingDB Entry DOI: 10.7270/Q2NK3CHS | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 321 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation Curated by PDSP Ki Database | J Pharmacol Exp Ther 247: 1093-102 (1988) BindingDB Entry DOI: 10.7270/Q2NK3CHS | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 514 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation Curated by ChEMBL | Assay Description Displacement of [3H]-spiperone from rat striatal homogenate dopamine receptor D2 | J Med Chem 32: 1913-21 (1989) BindingDB Entry DOI: 10.7270/Q2VQ31P4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 980 | 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(2) dopamine receptor (Homo sapiens (Human)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to dopamine D2 receptor | Bioorg Med Chem Lett 20: 836-40 (2010) Article DOI: 10.1016/j.bmcl.2009.12.100 BindingDB Entry DOI: 10.7270/Q23N23HT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation Curated by PDSP Ki Database | J Pharmacol Exp Ther 247: 1093-102 (1988) BindingDB Entry DOI: 10.7270/Q2NK3CHS | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 5.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to dopamine D4 receptor | Bioorg Med Chem Lett 20: 836-40 (2010) Article DOI: 10.1016/j.bmcl.2009.12.100 BindingDB Entry DOI: 10.7270/Q23N23HT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 5.52E+3 | 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 | |||||||||||||
D(1A) dopamine receptor (Homo sapiens (Human)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York Curated by ChEMBL | Assay Description Antagonist activity at human dopamine D1 receptor expressed in CHO-K1 cells by cAMP Hunter assay | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysis | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50004823 ((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
More data for this Ligand-Target Pair |