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PubMed code 1967652

Compile data set for download or QSAR
Found 18 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


(RAT)
BDBM50010592
PNG
(1-(8-Chloro-5-methylene-5H-dibenzo[a,d]cyclohepten...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2C(=C)c2ccc(Cl)cc12
Show InChI InChI=1S/C21H21ClN2/c1-15-18-6-4-3-5-16(18)13-21(24-11-9-23(2)10-12-24)20-14-17(22)7-8-19(15)20/h3-8,13-14H,1,9-12H2,2H3
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n/an/a 8n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D1 using [3H]-SCN 23390 in rat brain


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


(RAT)
BDBM50010598
PNG
(1-Methyl-4-(5-methylene-5H-dibenzo[a,d]cyclohepten...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2C(=C)c2ccccc12
Show InChI InChI=1S/C21H22N2/c1-16-18-8-4-3-7-17(18)15-21(20-10-6-5-9-19(16)20)23-13-11-22(2)12-14-23/h3-10,15H,1,11-14H2,2H3
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n/an/a 21n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D1 using [3H]-SCN 23390 in rat brain


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


(Rattus norvegicus (rat))
BDBM50010592
PNG
(1-(8-Chloro-5-methylene-5H-dibenzo[a,d]cyclohepten...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2C(=C)c2ccc(Cl)cc12
Show InChI InChI=1S/C21H21ClN2/c1-15-18-6-4-3-5-16(18)13-21(24-11-9-23(2)10-12-24)20-14-17(22)7-8-19(15)20/h3-8,13-14H,1,9-12H2,2H3
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n/an/a 27n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 using [3H]-spiperone in rat brain


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


(RAT)
BDBM50010595
PNG
(1-(2-Chloro-5-methylene-5H-dibenzo[a,d]cyclohepten...)
Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=C)c2ccccc12
Show InChI InChI=1S/C21H21ClN2/c1-15-18-8-7-17(22)13-16(18)14-21(20-6-4-3-5-19(15)20)24-11-9-23(2)10-12-24/h3-8,13-14H,1,9-12H2,2H3
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n/an/a 51n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D1 using [3H]-SCN 23390 in rat brain


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


(RAT)
BDBM50010594
PNG
(2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 63n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D1 using [3H]-SCN 23390 in rat brain


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


(RAT)
BDBM50010596
PNG
(1-(8-Chloro-5-isopropylidene-5H-dibenzo[a,d]cycloh...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2C(=C(C)C)c2ccc(Cl)cc12
Show InChI InChI=1S/C23H25ClN2/c1-16(2)23-19-7-5-4-6-17(19)14-22(26-12-10-25(3)11-13-26)21-15-18(24)8-9-20(21)23/h4-9,14-15H,10-13H2,1-3H3
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n/an/a 133n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D1 using [3H]-SCN 23390 in rat brain


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


(RAT)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 192n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D1 using [3H]-SCN 23390 in rat brain


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


(Rattus norvegicus (rat))
BDBM50010594
PNG
(2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 218n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 using [3H]-spiperone in rat brain


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


(Rattus norvegicus (rat))
BDBM50010595
PNG
(1-(2-Chloro-5-methylene-5H-dibenzo[a,d]cyclohepten...)
Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=C)c2ccccc12
Show InChI InChI=1S/C21H21ClN2/c1-15-18-8-7-17(22)13-16(18)14-21(20-6-4-3-5-19(15)20)24-11-9-23(2)10-12-24/h3-8,13-14H,1,9-12H2,2H3
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n/an/a 300n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 using [3H]-spiperone in rat brain


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


(Rattus norvegicus (rat))
BDBM50010598
PNG
(1-Methyl-4-(5-methylene-5H-dibenzo[a,d]cyclohepten...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2C(=C)c2ccccc12
Show InChI InChI=1S/C21H22N2/c1-16-18-8-4-3-7-17(18)15-21(20-10-6-5-9-19(16)20)23-13-11-22(2)12-14-23/h3-10,15H,1,11-14H2,2H3
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n/an/a 305n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 using [3H]-spiperone in rat brain


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


(RAT)
BDBM50010593
PNG
(1-(2-Chloro-5-isopropylidene-5H-dibenzo[a,d]cycloh...)
Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=C(C)C)c2ccccc12
Show InChI InChI=1S/C23H25ClN2/c1-16(2)23-19-9-8-18(24)14-17(19)15-22(20-6-4-5-7-21(20)23)26-12-10-25(3)11-13-26/h4-9,14-15H,10-13H2,1-3H3
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n/an/a 443n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D1 using [3H]-SCN 23390 in rat brain


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


(RAT)
BDBM50010597
PNG
(1-(5-Isopropylidene-5H-dibenzo[a,d]cyclohepten-10-...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2C(=C(C)C)c2ccccc12
Show InChI InChI=1S/C23H26N2/c1-17(2)23-19-9-5-4-8-18(19)16-22(20-10-6-7-11-21(20)23)25-14-12-24(3)13-15-25/h4-11,16H,12-15H2,1-3H3
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n/an/a 540n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D1 using [3H]-SCN 23390 in rat brain


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


(RAT)
BDBM50010591
PNG
(11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12
Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3
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n/an/a 895n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D1 using [3H]-SCN 23390 in rat brain


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


(Rattus norvegicus (rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 2.77E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 using [3H]-spiperone in rat brain


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


(Rattus norvegicus (rat))
BDBM50010597
PNG
(1-(5-Isopropylidene-5H-dibenzo[a,d]cyclohepten-10-...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2C(=C(C)C)c2ccccc12
Show InChI InChI=1S/C23H26N2/c1-17(2)23-19-9-5-4-8-18(19)16-22(20-10-6-7-11-21(20)23)25-14-12-24(3)13-15-25/h4-11,16H,12-15H2,1-3H3
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n/an/a 4.75E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 using [3H]-spiperone in rat brain


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


(Rattus norvegicus (rat))
BDBM50010593
PNG
(1-(2-Chloro-5-isopropylidene-5H-dibenzo[a,d]cycloh...)
Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=C(C)C)c2ccccc12
Show InChI InChI=1S/C23H25ClN2/c1-16(2)23-19-9-8-18(24)14-17(19)15-22(20-6-4-5-7-21(20)23)26-12-10-25(3)11-13-26/h4-9,14-15H,10-13H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 using [3H]-spiperone in rat brain


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


(Rattus norvegicus (rat))
BDBM50010596
PNG
(1-(8-Chloro-5-isopropylidene-5H-dibenzo[a,d]cycloh...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2C(=C(C)C)c2ccc(Cl)cc12
Show InChI InChI=1S/C23H25ClN2/c1-16(2)23-19-7-5-4-6-17(19)14-22(26-12-10-25(3)11-13-26)21-15-18(24)8-9-20(21)23/h4-9,14-15H,10-13H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 using [3H]-spiperone in rat brain


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


(Rattus norvegicus (rat))
BDBM50010591
PNG
(11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12
Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 using [3H]-spiperone in rat brain


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