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PubMed code 2888899

Compile data set for download or QSAR
Found 34 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
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50019947
PNG
(CHEMBL299471 | Propionic acid 1-[4-(4-fluoro-pheny...)
Show SMILES CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C24H28FNO3/c1-2-23(28)29-24(20-7-4-3-5-8-20)14-17-26(18-15-24)16-6-9-22(27)19-10-12-21(25)13-11-19/h3-5,7-8,10-13H,2,6,9,14-18H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50019948
PNG
(CHEMBL292006 | Propionic acid 1-[4-(4-fluoro-pheny...)
Show SMILES CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C25H30FNO3/c1-3-24(29)30-25(21-8-5-4-6-9-21)15-17-27(18-19(25)2)16-7-10-23(28)20-11-13-22(26)14-12-20/h4-6,8-9,11-14,19H,3,7,10,15-18H2,1-2H3/t19-,25?/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 4.20n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- spiroperidol to Dopamine receptor D2 in rat striatal membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50019946
PNG
(CHEMBL56547 | Propionic acid 1-[4-(4-fluoro-phenyl...)
Show SMILES CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)C[C@H]1C)c1ccccc1
Show InChI InChI=1S/C25H30FNO3/c1-3-24(29)30-25(21-8-5-4-6-9-21)15-17-27(18-19(25)2)16-7-10-23(28)20-11-13-22(26)14-12-20/h4-6,8-9,11-14,19H,3,7,10,15-18H2,1-2H3/t19-,25?/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 24n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat striatal dopamine (D1) sensitive adenylate cyclase activity

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50019947
PNG
(CHEMBL299471 | Propionic acid 1-[4-(4-fluoro-pheny...)
Show SMILES CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C24H28FNO3/c1-2-23(28)29-24(20-7-4-3-5-8-20)14-17-26(18-15-24)16-6-9-22(27)19-10-12-21(25)13-11-19/h3-5,7-8,10-13H,2,6,9,14-18H2,1H3
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n/an/a 29n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- spiroperidol to Dopamine receptor D2 in rat striatal membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50019948
PNG
(CHEMBL292006 | Propionic acid 1-[4-(4-fluoro-pheny...)
Show SMILES CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C25H30FNO3/c1-3-24(29)30-25(21-8-5-4-6-9-21)15-17-27(18-19(25)2)16-7-10-23(28)20-11-13-22(26)14-12-20/h4-6,8-9,11-14,19H,3,7,10,15-18H2,1-2H3/t19-,25?/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- spiroperidol to Dopamine receptor D2 in rat striatal membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 41n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- spiroperidol to Dopamine receptor D2 in rat striatal membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50019946
PNG
(CHEMBL56547 | Propionic acid 1-[4-(4-fluoro-phenyl...)
Show SMILES CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)C[C@H]1C)c1ccccc1
Show InChI InChI=1S/C25H30FNO3/c1-3-24(29)30-25(21-8-5-4-6-9-21)15-17-27(18-19(25)2)16-7-10-23(28)20-11-13-22(26)14-12-20/h4-6,8-9,11-14,19H,3,7,10,15-18H2,1-2H3/t19-,25?/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- spiroperidol to Dopamine receptor D2 in rat striatal membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50019949
PNG
(1-(4-Fluoro-phenyl)-4-(4-hydroxy-4-phenyl-piperidi...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C21H24FNO2/c22-19-10-8-17(9-11-19)20(24)7-4-14-23-15-12-21(25,13-16-23)18-5-2-1-3-6-18/h1-3,5-6,8-11,25H,4,7,12-16H2
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n/an/a 47n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- spiroperidol to Dopamine receptor D2 in rat striatal membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50019954
PNG
(1-(4-Fluoro-phenyl)-4-(4-hydroxy-3-methyl-4-phenyl...)
Show SMILES C[C@H]1CN(CCCC(=O)c2ccc(F)cc2)CCC1(O)c1ccccc1
Show InChI InChI=1S/C22H26FNO2/c1-17-16-24(15-13-22(17,26)19-6-3-2-4-7-19)14-5-8-21(25)18-9-11-20(23)12-10-18/h2-4,6-7,9-12,17,26H,5,8,13-16H2,1H3/t17-,22?/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- spiroperidol to Dopamine receptor D2 in rat striatal membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50019950
PNG
(1-(4-Fluoro-phenyl)-4-(4-phenyl-piperidin-1-yl)-bu...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H24FNO/c22-20-10-8-19(9-11-20)21(24)7-4-14-23-15-12-18(13-16-23)17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-16H2
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n/an/a 70n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- spiroperidol to Dopamine receptor D2 in rat striatal membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50019945
PNG
(1-(4-Fluoro-phenyl)-4-(4-hydroxy-3-methyl-4-phenyl...)
Show SMILES C[C@@H]1CN(CCCC(=O)c2ccc(F)cc2)CCC1(O)c1ccccc1
Show InChI InChI=1S/C22H26FNO2/c1-17-16-24(15-13-22(17,26)19-6-3-2-4-7-19)14-5-8-21(25)18-9-11-20(23)12-10-18/h2-4,6-7,9-12,17,26H,5,8,13-16H2,1H3/t17-,22?/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- spiroperidol to Dopamine receptor D2 in rat striatal membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM29644
PNG
((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/a 302n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 550n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat striatal dopamine (D1) sensitive adenylate cyclase activity

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50019952
PNG
(CHEMBL57306 | Propionic acid 1-[4-(4-fluoro-phenyl...)
Show SMILES CCC(=O)OC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C18H24FNO3/c1-2-18(22)23-16-9-12-20(13-10-16)11-3-4-17(21)14-5-7-15(19)8-6-14/h5-8,16H,2-4,9-13H2,1H3
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n/an/a 598n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- spiroperidol to Dopamine receptor D2 in rat striatal membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat striatal dopamine (D1) sensitive adenylate cyclase activity

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50019954
PNG
(1-(4-Fluoro-phenyl)-4-(4-hydroxy-3-methyl-4-phenyl...)
Show SMILES C[C@H]1CN(CCCC(=O)c2ccc(F)cc2)CCC1(O)c1ccccc1
Show InChI InChI=1S/C22H26FNO2/c1-17-16-24(15-13-22(17,26)19-6-3-2-4-7-19)14-5-8-21(25)18-9-11-20(23)12-10-18/h2-4,6-7,9-12,17,26H,5,8,13-16H2,1H3/t17-,22?/m0/s1
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n/an/a 1.65E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat striatal dopamine (D1) sensitive adenylate cyclase activity

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50019947
PNG
(CHEMBL299471 | Propionic acid 1-[4-(4-fluoro-pheny...)
Show SMILES CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C24H28FNO3/c1-2-23(28)29-24(20-7-4-3-5-8-20)14-17-26(18-15-24)16-6-9-22(27)19-10-12-21(25)13-11-19/h3-5,7-8,10-13H,2,6,9,14-18H2,1H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat striatal dopamine (D1) sensitive adenylate cyclase activity

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50019948
PNG
(CHEMBL292006 | Propionic acid 1-[4-(4-fluoro-pheny...)
Show SMILES CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C25H30FNO3/c1-3-24(29)30-25(21-8-5-4-6-9-21)15-17-27(18-19(25)2)16-7-10-23(28)20-11-13-22(26)14-12-20/h4-6,8-9,11-14,19H,3,7,10,15-18H2,1-2H3/t19-,25?/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat striatal dopamine (D1) sensitive adenylate cyclase activity

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50019945
PNG
(1-(4-Fluoro-phenyl)-4-(4-hydroxy-3-methyl-4-phenyl...)
Show SMILES C[C@@H]1CN(CCCC(=O)c2ccc(F)cc2)CCC1(O)c1ccccc1
Show InChI InChI=1S/C22H26FNO2/c1-17-16-24(15-13-22(17,26)19-6-3-2-4-7-19)14-5-8-21(25)18-9-11-20(23)12-10-18/h2-4,6-7,9-12,17,26H,5,8,13-16H2,1H3/t17-,22?/m1/s1
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n/an/a 2.65E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat striatal dopamine (D1) sensitive adenylate cyclase activity

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50019949
PNG
(1-(4-Fluoro-phenyl)-4-(4-hydroxy-4-phenyl-piperidi...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C21H24FNO2/c22-19-10-8-17(9-11-19)20(24)7-4-14-23-15-12-21(25,13-16-23)18-5-2-1-3-6-18/h1-3,5-6,8-11,25H,4,7,12-16H2
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n/an/a 2.80E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat striatal dopamine (D1) sensitive adenylate cyclase activity

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/a 3.05E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50019946
PNG
(CHEMBL56547 | Propionic acid 1-[4-(4-fluoro-phenyl...)
Show SMILES CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)C[C@H]1C)c1ccccc1
Show InChI InChI=1S/C25H30FNO3/c1-3-24(29)30-25(21-8-5-4-6-9-21)15-17-27(18-19(25)2)16-7-10-23(28)20-11-13-22(26)14-12-20/h4-6,8-9,11-14,19H,3,7,10,15-18H2,1-2H3/t19-,25?/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat striatal dopamine (D1) sensitive adenylate cyclase activity

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50019949
PNG
(1-(4-Fluoro-phenyl)-4-(4-hydroxy-4-phenyl-piperidi...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C21H24FNO2/c22-19-10-8-17(9-11-19)20(24)7-4-14-23-15-12-21(25,13-16-23)18-5-2-1-3-6-18/h1-3,5-6,8-11,25H,4,7,12-16H2
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n/an/a 3.22E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50019953
PNG
(1-(4-Fluoro-phenyl)-4-(4-hydroxy-piperidin-1-yl)-b...)
Show SMILES OC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C15H20FNO2/c16-13-5-3-12(4-6-13)15(19)2-1-9-17-10-7-14(18)8-11-17/h3-6,14,18H,1-2,7-11H2
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n/an/a>5.00E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- spiroperidol to Dopamine receptor D2 in rat striatal membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50019953
PNG
(1-(4-Fluoro-phenyl)-4-(4-hydroxy-piperidin-1-yl)-b...)
Show SMILES OC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C15H20FNO2/c16-13-5-3-12(4-6-13)15(19)2-1-9-17-10-7-14(18)8-11-17/h3-6,14,18H,1-2,7-11H2
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n/an/a 5.50E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 5.69E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(1A) dopamine receptor


(RAT)		BDBM50019950
PNG
(1-(4-Fluoro-phenyl)-4-(4-phenyl-piperidin-1-yl)-bu...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H24FNO/c22-20-10-8-19(9-11-20)21(24)7-4-14-23-15-12-18(13-16-23)17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-16H2
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n/an/a 7.50E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat striatal dopamine (D1) sensitive adenylate cyclase activity

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50019954
PNG
(1-(4-Fluoro-phenyl)-4-(4-hydroxy-3-methyl-4-phenyl...)
Show SMILES C[C@H]1CN(CCCC(=O)c2ccc(F)cc2)CCC1(O)c1ccccc1
Show InChI InChI=1S/C22H26FNO2/c1-17-16-24(15-13-22(17,26)19-6-3-2-4-7-19)14-5-8-21(25)18-9-11-20(23)12-10-18/h2-4,6-7,9-12,17,26H,5,8,13-16H2,1H3/t17-,22?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Inhibition of purified human kidney renin, radioimmunoassay using the natural substrate partially pure angiotensinogen at 10e-9 M concentration

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50019950
PNG
(1-(4-Fluoro-phenyl)-4-(4-phenyl-piperidin-1-yl)-bu...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H24FNO/c22-20-10-8-19(9-11-20)21(24)7-4-14-23-15-12-18(13-16-23)17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-16H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Binding affinity against HMG-CoA reductase in rat liver microsomes

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50019945
PNG
(1-(4-Fluoro-phenyl)-4-(4-hydroxy-3-methyl-4-phenyl...)
Show SMILES C[C@@H]1CN(CCCC(=O)c2ccc(F)cc2)CCC1(O)c1ccccc1
Show InChI InChI=1S/C22H26FNO2/c1-17-16-24(15-13-22(17,26)19-6-3-2-4-7-19)14-5-8-21(25)18-9-11-20(23)12-10-18/h2-4,6-7,9-12,17,26H,5,8,13-16H2,1H3/t17-,22?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50019952
PNG
(CHEMBL57306 | Propionic acid 1-[4-(4-fluoro-phenyl...)
Show SMILES CCC(=O)OC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C18H24FNO3/c1-2-18(22)23-16-9-12-20(13-10-16)11-3-4-17(21)14-5-7-15(19)8-6-14/h5-8,16H,2-4,9-13H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Ability to inhibit the specific binding of [3H]- spiroperidol to Dopamine receptor D2 in rat striatal membrane preparation by 50%

J Med Chem 30: 1906-10 (1987)


BindingDB Entry DOI: 10.7270/Q2DB82D1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%