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PubMed code 1967318

Compile data set for download or QSAR
Found 8 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))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
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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PubMed
n/an/a 2.60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity of the compound for [3H]-N-propylnorapomorphine (NPA) Dopamine receptor D2


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


(Rattus norvegicus (rat))
BDBM50010587
PNG
(3-Dipropylamino-chroman-6-ol | CHEMBL69414)
Show SMILES CCCN(CCC)C1COc2ccc(O)cc2C1
Show InChI InChI=1S/C15H23NO2/c1-3-7-16(8-4-2)13-9-12-10-14(17)5-6-15(12)18-11-13/h5-6,10,13,17H,3-4,7-9,11H2,1-2H3
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n/an/a 13.3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity of the compound for [3H]-N-propylnorapomorphine (NPA) Dopamine receptor D2


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


(Rattus norvegicus (rat))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
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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PubMed
n/an/a 27n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting specific binding of [3H]-haloperidol to Dopamine receptor D2 from rat striatal brain.


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


(Rattus norvegicus (rat))
BDBM50010586
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...)
Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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n/an/a 123n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity of the compound for [3H]-N-propylnorapomorphine (NPA) Dopamine receptor D2


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


(Rattus norvegicus (rat))
BDBM50010587
PNG
(3-Dipropylamino-chroman-6-ol | CHEMBL69414)
Show SMILES CCCN(CCC)C1COc2ccc(O)cc2C1
Show InChI InChI=1S/C15H23NO2/c1-3-7-16(8-4-2)13-9-12-10-14(17)5-6-15(12)18-11-13/h5-6,10,13,17H,3-4,7-9,11H2,1-2H3
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PubMed
n/an/a 800n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting specific binding of [3H]-haloperidol to Dopamine receptor D2 from rat striatal brain.


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


(Rattus norvegicus (rat))
BDBM50010586
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...)
Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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PubMed
n/an/a 900n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting specific binding of [3H]-haloperidol to Dopamine receptor D2 from rat striatal brain.


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


(Rattus norvegicus (rat))
BDBM50010586
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...)
Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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PC sid
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PubMed
n/an/a 900n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting specific binding of [3H]-haloperidol to Dopamine receptor D2 from rat striatal brain.


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


(Rattus norvegicus (rat))
BDBM50090831
PNG
((-)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...)
Show SMILES CCCN1CCO[C@@H]2[C@@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting specific binding of [3H]-haloperidol to Dopamine receptor D2 from rat striatal brain.


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