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BDBM50007550 3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro-5'H-dibenzo[a,d]cycloheptene)]-4-yl(dimethyl)amine::CHEMBL300647::Enantiomer 2'3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro-5'H-dibenzo[a,d]cycloheptene)]-4-yl(dimethyl)amine

SMILES: CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21

InChI Key: InChIKey=FZXSXMYFIZKXPT-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50007550   
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
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
Dopamine receptor D2L/neurotensin receptor NTS1


(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
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))
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
Alpha adrenergic receptor (1a and 1d)


(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
Sigma opioid receptor


(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)
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