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PubMed code 8544176

Compile data set for download or QSAR
Found 16 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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048302
PNG
(4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...)
Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-N-0437


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50048302
PNG
(4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...)
Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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0.520n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D3 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048300
PNG
(4-(1-[methyl cyclohex-3-en-3-yl phenol]-1,2,3,6-te...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccc(O)cc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO2/c26-23-8-4-19(5-9-23)21-12-14-25(15-13-21)17-18-2-1-3-22(16-18)20-6-10-24(27)11-7-20/h3-12,18,26-27H,1-2,13-17H2/t18-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-N-0437


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50048300
PNG
(4-(1-[methyl cyclohex-3-en-3-yl phenol]-1,2,3,6-te...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccc(O)cc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO2/c26-23-8-4-19(5-9-23)21-12-14-25(15-13-21)17-18-2-1-3-22(16-18)20-6-10-24(27)11-7-20/h3-12,18,26-27H,1-2,13-17H2/t18-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D3 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048302
PNG
(4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...)
Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048301
PNG
(4-[1-((R)-3-Phenyl-cyclohex-3-enylmethyl)-1,2,3,6-...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccccc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)22-13-15-25(16-14-22)18-19-5-4-8-23(17-19)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-N-0437


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-N-0437


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048300
PNG
(4-(1-[methyl cyclohex-3-en-3-yl phenol]-1,2,3,6-te...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccc(O)cc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO2/c26-23-8-4-19(5-9-23)21-12-14-25(15-13-21)17-18-2-1-3-22(16-18)20-6-10-24(27)11-7-20/h3-12,18,26-27H,1-2,13-17H2/t18-/m1/s1
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10.3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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16.6n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D3 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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25.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50048301
PNG
(4-[1-((R)-3-Phenyl-cyclohex-3-enylmethyl)-1,2,3,6-...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccccc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)22-13-15-25(16-14-22)18-19-5-4-8-23(17-19)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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56.7n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D3 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50048302
PNG
(4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...)
Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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61.4n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D4.2 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50048300
PNG
(4-(1-[methyl cyclohex-3-en-3-yl phenol]-1,2,3,6-te...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccc(O)cc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO2/c26-23-8-4-19(5-9-23)21-12-14-25(15-13-21)17-18-2-1-3-22(16-18)20-6-10-24(27)11-7-20/h3-12,18,26-27H,1-2,13-17H2/t18-/m1/s1
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68n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D4.2 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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90.9n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D4.2 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048301
PNG
(4-[1-((R)-3-Phenyl-cyclohex-3-enylmethyl)-1,2,3,6-...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccccc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)22-13-15-25(16-14-22)18-19-5-4-8-23(17-19)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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94n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50048301
PNG
(4-[1-((R)-3-Phenyl-cyclohex-3-enylmethyl)-1,2,3,6-...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccccc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)22-13-15-25(16-14-22)18-19-5-4-8-23(17-19)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D4.2 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%