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PubMed code 1676759

Compile data set for download or QSAR
Found 12 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
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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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PubMed
5n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the Dopamine receptor D2


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50409503
PNG
(CHEMBL310153)
Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3
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6.5n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the dopamine receptor D2


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
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21n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the dopamine receptor D2


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50409493
PNG
(CHEMBL310734)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C25H29FN2O2/c26-22-9-7-20(8-10-22)24(29)6-3-11-27-12-14-28(15-13-27)18-19-16-21-4-1-2-5-23(21)25(30)17-19/h1-2,4-5,7-10,19H,3,6,11-18H2
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25n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the dopamine receptor D2


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50453056
PNG
(CHEMBL73675)
Show SMILES OC1(CCN(CC2CC(=O)c3ccccc3C2)CC1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-21-15-17(14-18-6-4-5-9-20(18)21)16-23-12-10-22(25,11-13-23)19-7-2-1-3-8-19/h1-9,17,25H,10-16H2
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74n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the dopamine receptor D2


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50453055
PNG
(CHEMBL72649)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccc(F)cc3C2)CC1
Show InChI InChI=1S/C25H28F2N2O2/c26-21-5-3-19(4-6-21)24(30)2-1-9-28-10-12-29(13-11-28)17-18-14-20-16-22(27)7-8-23(20)25(31)15-18/h3-8,16,18H,1-2,9-15,17H2
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78n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the dopamine receptor D2


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
DOPAMINE


(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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98n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the Dopamine receptor D1


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
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324n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the dopamine receptor D1


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50409493
PNG
(CHEMBL310734)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C25H29FN2O2/c26-22-9-7-20(8-10-22)24(29)6-3-11-27-12-14-28(15-13-27)18-19-16-21-4-1-2-5-23(21)25(30)17-19/h1-2,4-5,7-10,19H,3,6,11-18H2
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380n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the dopamine receptor D1


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50453056
PNG
(CHEMBL73675)
Show SMILES OC1(CCN(CC2CC(=O)c3ccccc3C2)CC1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-21-15-17(14-18-6-4-5-9-20(18)21)16-23-12-10-22(25,11-13-23)19-7-2-1-3-8-19/h1-9,17,25H,10-16H2
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741n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the dopamine receptor D1


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50453055
PNG
(CHEMBL72649)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccc(F)cc3C2)CC1
Show InChI InChI=1S/C25H28F2N2O2/c26-21-5-3-19(4-6-21)24(30)2-1-9-28-10-12-29(13-11-28)17-18-14-20-16-22(27)7-8-23(20)25(31)15-18/h3-8,16,18H,1-2,9-15,17H2
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912n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the dopamine receptor D1


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50409503
PNG
(CHEMBL310153)
Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3
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1.35E+3n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the dopamine receptor D1


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%