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

Data  17 KI  1 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50004823   

TargetD(1A) dopamine receptor(Homo sapiens (Human))
Sumitomo Dainippon Pharma.

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  0.900nMAssay Description:Binding affinity to human dopamine D1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Sumitomo Dainippon Pharma.

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  1.20nMAssay Description:Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Sumitomo Dainippon Pharma.

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  1.20nMAssay Description:Binding affinity to dopamine D1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(RAT)
Schering-Plough

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  1.90nMAssay Description:Inhibition of [3H]-SCH-23,390 binding to rat striatal homogenate dopamine receptor D1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Sumitomo Dainippon Pharma.

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  1.90nMAssay Description:Binding affinity to displace [3H]-SCH- 23390 against Dopamine receptor D1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Sumitomo Dainippon Pharma.

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  1.90nMAssay Description:Compound was tested for the displacement of [3H]-SCH- 23390 from dopamine receptor D1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1B) dopamine receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  2nMAssay Description:Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1B) dopamine receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  2nMAssay Description:Binding affinity to dopamine D5 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(RAT)
Schering-Plough

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  3.60nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Schering-Plough

Curated by PDSP Ki Database
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  321nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Schering-Plough

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  514nMAssay Description:Displacement of [3H]-spiperone from rat striatal homogenate dopamine receptor D2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  980nMAssay Description:Binding affinity to dopamine D2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  980nMAssay Description:Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  1.24E+3nMAssay Description:Binding affinity to human dopamine D2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Schering-Plough

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  4.27E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetD(4) dopamine receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  5.52E+3nMAssay Description:Binding affinity to dopamine D4 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(4) dopamine receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataKi:  5.52E+3nMAssay Description:Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataEC50:  1.26E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataEC50:  4.00E+3nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Sumitomo Dainippon Pharma.

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataIC50:  1.5nMAssay Description:Antagonist activity at human dopamine D1 receptor expressed in CHO-K1 cells by cAMP Hunter assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Affinity DataEC50:  6.30E+3nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed