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PubMed code 1674541

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity determined in radioreceptor binding assay by using [3H]-SCH-23,390 radioligand against dopamine receptor D1


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
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0.330n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity determined in radioreceptor binding assay by using [3H]-SCH-23,390 radioligand against dopamine receptor D1


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (human))
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
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0.570n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity determined in radioreceptor binding assay by using [3H]-SCH-23,390 radioligand against dopamine receptor D1


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
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0.660n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against dopamine receptor D2 using raclopride as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (human))
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against dopamine receptor D2 using raclopride as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (human))
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity determined in radioreceptor binding assay by using [3H]-SCH-23,390 radioligand against dopamine receptor D1


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against dopamine receptor D2 using raclopride as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
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3.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Dopamine receptor D1 using SCH-23390 as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
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4.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Alpha-1 adrenergic receptor using WB4101 as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
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6.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Dopamine receptor D2 using raclopride as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
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7.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against sigma receptor using DTG as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Alpha-1 adrenergic receptor using WB-4101 as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (human))
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
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30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against dopamine receptor D2 using raclopride as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
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36n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Alpha-1 adrenergic receptor using WB4101 as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
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43n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against muscarinic acetylcholine receptor using QNB as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
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61n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against sigma receptor using DTG as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
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68n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity determined in radioreceptor binding assay by using [3H]SCH-23390 radioligand against dopamine receptor D1


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
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94n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against muscarinic acetylcholine receptor using QNB as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
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200n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Alpha-1 adrenergic receptor using WB4101 as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
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550n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against sigma receptor using DTG as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
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680n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Alpha-1 adrenergic receptor using WB4101 as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
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800n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Sigma opioid receptor using DTG as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
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1.40E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against sigma receptor using DTG as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
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1.60E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Sigma opioid receptor using DTG as radioligand


J Med Chem 34: 1707-14 (1991)


Article DOI: 10.1021/jm00109a026
BindingDB Entry DOI: 10.7270/Q2ZP4534
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%