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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 or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50030623   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50030623
PNG
(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
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30.4n/an/an/an/an/an/an/an/a



Glaxo SmithKline Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 219-25 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3R9D
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50030623
PNG
(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
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31.6n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 1362-7 (1994)


Article DOI: 10.1002/cbic.201500091
BindingDB Entry DOI: 10.7270/Q24X569K
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50030623
PNG
(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
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32n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)


BindingDB Entry DOI: 10.7270/Q2Z899WV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50030623
PNG
(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
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33n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to human Alpha-1D adrenergic receptor expressed in CHO cells


J Med Chem 38: 3681-716 (1995)


Article DOI: 10.1021/jm00019a001
BindingDB Entry DOI: 10.7270/Q2SB46C4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50030623
PNG
(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
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33n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to human Alpha-1A adrenergic receptor expressed in CHO cells


J Med Chem 38: 3681-716 (1995)


Article DOI: 10.1021/jm00019a001
BindingDB Entry DOI: 10.7270/Q2SB46C4
More data for this
Ligand-Target Pair
adrenergic Alpha2


(PIG)
BDBM50030623
PNG
(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
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35n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 735-40 (1994)


BindingDB Entry DOI: 10.7270/Q2VD6X0Z
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50030623
PNG
(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
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39.8n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 1362-7 (1994)


Article DOI: 10.1002/cbic.201500091
BindingDB Entry DOI: 10.7270/Q24X569K
More data for this
Ligand-Target Pair
adrenergic Alpha2


(OPOSSUM)
BDBM50030623
PNG
(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
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42.6n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 1362-7 (1994)


Article DOI: 10.1002/cbic.201500091
BindingDB Entry DOI: 10.7270/Q24X569K
More data for this
Ligand-Target Pair
ADRA2C


(OK)
BDBM50030623
PNG
(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
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43n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)


BindingDB Entry DOI: 10.7270/Q2Z899WV
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM50030623
PNG
(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
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49.0n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 1362-7 (1994)


Article DOI: 10.1002/cbic.201500091
BindingDB Entry DOI: 10.7270/Q24X569K
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50030623
PNG
(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
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49n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)


BindingDB Entry DOI: 10.7270/Q2Z899WV
More data for this
Ligand-Target Pair
adrenergic Alpha2


(OPOSSUM)
BDBM50030623
PNG
(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
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55.0n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 1362-7 (1994)


Article DOI: 10.1002/cbic.201500091
BindingDB Entry DOI: 10.7270/Q24X569K
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50030623
PNG
(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
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64n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]rauwolscine to CHO cells expressing the human Alpha-2C adrenergic receptor


J Med Chem 38: 3681-716 (1995)


Article DOI: 10.1021/jm00019a001
BindingDB Entry DOI: 10.7270/Q2SB46C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50030623
PNG
(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
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64n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-2C adrenergic receptor from human clones.


J Med Chem 38: 3415-44 (1995)


Article DOI: 10.1021/jm00018a001
BindingDB Entry DOI: 10.7270/Q20G3J6W
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM50030623
PNG
(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
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69.2n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 1362-7 (1994)


Article DOI: 10.1002/cbic.201500091
BindingDB Entry DOI: 10.7270/Q24X569K
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM50030623
PNG
(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
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81.3n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 1362-7 (1994)


Article DOI: 10.1002/cbic.201500091
BindingDB Entry DOI: 10.7270/Q24X569K
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50030623
PNG
(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
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87n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to human Alpha-1B adrenergic receptor expressed in CHO cells


J Med Chem 38: 3681-716 (1995)


Article DOI: 10.1021/jm00019a001
BindingDB Entry DOI: 10.7270/Q2SB46C4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50030623
PNG
(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
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114n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2A adrenergic receptor


J Med Chem 38: 3681-716 (1995)


Article DOI: 10.1021/jm00019a001
BindingDB Entry DOI: 10.7270/Q2SB46C4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50030623
PNG
(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
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114n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-2A adrenergic receptor, from human clones.


J Med Chem 38: 3415-44 (1995)


Article DOI: 10.1021/jm00018a001
BindingDB Entry DOI: 10.7270/Q20G3J6W
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50030623
PNG
(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
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142n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-2B adrenergic receptor from human clones.


J Med Chem 38: 3415-44 (1995)


Article DOI: 10.1021/jm00018a001
BindingDB Entry DOI: 10.7270/Q20G3J6W
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50030623
PNG
(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
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142n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2B adrenergic receptor


J Med Chem 38: 3681-716 (1995)


Article DOI: 10.1021/jm00019a001
BindingDB Entry DOI: 10.7270/Q2SB46C4
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM50030623
PNG
(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
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145n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 1362-7 (1994)


Article DOI: 10.1002/cbic.201500091
BindingDB Entry DOI: 10.7270/Q24X569K
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM50030623
PNG
(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
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153n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 735-40 (1994)


BindingDB Entry DOI: 10.7270/Q2VD6X0Z
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RABBIT)
BDBM50030623
PNG
(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
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191n/an/an/an/an/an/an/an/a



Glaxo SmithKline Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 219-25 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3R9D
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50030623
PNG
(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
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244n/an/an/an/an/an/an/an/a



Glaxo SmithKline Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 219-25 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3R9D
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50030623
PNG
(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
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248n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 735-40 (1994)


BindingDB Entry DOI: 10.7270/Q2VD6X0Z
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RABBIT)
BDBM50030623
PNG
(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
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292n/an/an/an/an/an/an/an/a



Glaxo SmithKline Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 219-25 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3R9D
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50030623
PNG
(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
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313n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against alpha-2D adrenergic receptor, from rat clones.


J Med Chem 38: 3415-44 (1995)


Article DOI: 10.1021/jm00018a001
BindingDB Entry DOI: 10.7270/Q20G3J6W
More data for this
Ligand-Target Pair