null

SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21

InChI Key InChIKey=DMJWENQHWZZWDF-PKOBYXMFSA-N

  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))TBA
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)copy SMILEScopy InChI
Affinity DataKi:  0.900nMAssay Description:Binding affinity to human dopamine D1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26113Z0PubMed
TargetD(1A) dopamine receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2FX79JHPubMed
TargetD(1A) dopamine receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)copy SMILEScopy InChI
Affinity DataKi:  1.20nMAssay Description:Binding affinity to dopamine D1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N23HTPubMed
TargetD(1A) dopamine receptor(RAT)
Schering-Plough Corporation

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2VQ31P4PubMed
TargetD(1A) dopamine receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)copy SMILEScopy InChI
Affinity DataKi:  1.90nMAssay Description:Binding affinity to displace [3H]-SCH- 23390 against Dopamine receptor D1More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2TD9XZBPubMed
TargetD(1A) dopamine receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2TH8N95PubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2FX79JHPubMed
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...)copy SMILEScopy InChI
Affinity DataKi:  2nMAssay Description:Binding affinity to dopamine D5 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N23HTPubMed
TargetD(1A) dopamine receptor(RAT)
Schering-Plough Corporation

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)copy SMILEScopy InChI
Affinity DataKi:  3.60nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2NK3CHSPubMed
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Schering-Plough Corporation

Curated by PDSP Ki Database
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)copy SMILEScopy InChI
Affinity DataKi:  321nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2NK3CHSPubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Schering-Plough Corporation

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)copy SMILEScopy InChI
Affinity DataKi:  514nMAssay Description:Displacement of [3H]-spiperone from rat striatal homogenate dopamine receptor D2More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VQ31P4PubMed
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...)copy SMILEScopy InChI
Affinity DataKi:  980nMAssay Description:Binding affinity to dopamine D2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N23HTPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2FX79JHPubMed
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...)copy SMILEScopy InChI
Affinity DataKi:  1.24E+3nMAssay Description:Binding affinity to human dopamine D2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26113Z0PubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Schering-Plough Corporation

Curated by ChEMBL
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)copy SMILEScopy InChI
Affinity DataKi:  4.27E+3nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2NK3CHSPubMed
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...)copy SMILEScopy InChI
Affinity DataKi:  5.52E+3nMAssay Description:Binding affinity to dopamine D4 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N23HTPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2FX79JHPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2JS9S5PPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2JS9S5PPubMed
TargetD(1A) dopamine receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50004823((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2377D85PubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2JS9S5PPubMed