BDBM50030623 6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine::CHEMBL114166::SK&F-104078::SK-104078::SKF 104078

SMILES [#6]-[#7]-1-[#6]-[#6]-c2c(Cl)ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-1

InChI Key InChIKey=MBYSTKNEMJZSIK-UHFFFAOYSA-N

Data  28 KI

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 28 hits for monomerid = 50030623   

TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  30.4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  31.6nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  32nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  33nMAssay Description:Inhibition of [3H]prazosin binding to human Alpha-1D adrenergic receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  33nMAssay Description:Inhibition of [3H]prazosin binding to human Alpha-1A adrenergic receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(PIG)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  35nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  39.8nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2B adrenergic receptor(OPOSSUM)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  42.6nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2C adrenergic receptor(OK)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  43nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2C adrenergic receptor(RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  49.0nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2B adrenergic receptor(NEONATAL RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  49nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2B adrenergic receptor(OPOSSUM)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  55.0nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  64nMAssay Description:Inhibition of [3H]rauwolscine to CHO cells expressing the human Alpha-2C adrenergic receptorMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  64nMAssay Description:Binding affinity against Alpha-2C adrenergic receptor from human clones.More data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(RAT)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  69.2nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2A adrenergic receptor(BOVINE)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  81.3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  87nMAssay Description:Inhibition of [3H]prazosin binding to human Alpha-1B adrenergic receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  114nMAssay Description:Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2A adrenergic receptorMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  114nMAssay Description:Binding affinity against Alpha-2A adrenergic receptor, from human clones.More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  142nMAssay Description:Binding affinity against Alpha-2B adrenergic receptor from human clones.More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  142nMAssay Description:Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2B adrenergic receptorMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(BOVINE)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  145nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2A adrenergic receptor(BOVINE)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  153nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2B adrenergic receptor(RABBIT)
GlaxoSmithKline

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  191nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2A adrenergic receptor [16-465](Rattus norvegicus (rat))
GlaxoSmithKline

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  244nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2A adrenergic receptor [16-465](Rattus norvegicus (rat))
GlaxoSmithKline

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  248nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2B adrenergic receptor(RABBIT)
GlaxoSmithKline

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  292nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2A adrenergic receptor [16-465](Rattus norvegicus (rat))
GlaxoSmithKline

Curated by PDSP Ki Database
LigandPNGBDBM50030623(6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4...)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
Show InChI InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
Affinity DataKi:  313nMAssay Description:The compound was tested for binding affinity against alpha-2D adrenergic receptor, from rat clones.More data for this Ligand-Target Pair