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PubMed code 1533424

Compile data set for download or QSAR
Found 20 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)
BDBM50004921
PNG
((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...)
Show SMILES Oc1cc2[C@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum


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


(RAT)
BDBM50004917
PNG
(3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2
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n/an/a 5.10n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum


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


(RAT)
BDBM50004925
PNG
(CHEMBL284473 | R-(+)-APD3-Allyl-1-phenyl-2,3,4,5-t...)
Show SMILES Oc1cc2CCN(CC=C)C[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14/h2-7,11-12,17,21-22H,1,8-10,13H2/t17-/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum


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


(RAT)
BDBM50004922
PNG
(3-Allyl-6-bromo-1-phenyl-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2
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n/an/a 10.1n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum


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


(RAT)
BDBM50004918
PNG
((+/-)-APD3-Allyl-1-phenyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14/h2-7,11-12,17,21-22H,1,8-10,13H2
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n/an/a 19.7n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum


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


(RAT)
BDBM50004822
PNG
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)
Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum


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


(RAT)
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
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n/an/a 190n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum


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


(Rattus norvegicus (rat))
BDBM50004917
PNG
(3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2
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n/an/a 336n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum


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


(Rattus norvegicus (rat))
BDBM50004921
PNG
((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...)
Show SMILES Oc1cc2[C@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m1/s1
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n/an/a 511n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum


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


(Rattus norvegicus (rat))
BDBM50004922
PNG
(3-Allyl-6-bromo-1-phenyl-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2
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n/an/a 701n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum


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


(Rattus norvegicus (rat))
BDBM50004925
PNG
(CHEMBL284473 | R-(+)-APD3-Allyl-1-phenyl-2,3,4,5-t...)
Show SMILES Oc1cc2CCN(CC=C)C[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14/h2-7,11-12,17,21-22H,1,8-10,13H2/t17-/m1/s1
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n/an/a 1.42E+3n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum


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


(RAT)
BDBM50004919
PNG
((R)(+)-BrAPB | CHEMBL286424 | S-(-)-6-Br-APD3-Ally...)
Show SMILES Oc1cc2[C@@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m0/s1
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n/an/a 1.88E+3n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum


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


(Rattus norvegicus (rat))
BDBM50004918
PNG
((+/-)-APD3-Allyl-1-phenyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14/h2-7,11-12,17,21-22H,1,8-10,13H2
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n/an/a 2.43E+3n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum


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


(RAT)
BDBM50004924
PNG
(CHEMBL286120 | S-(-)-APD3-Allyl-1-phenyl-2,3,4,5-t...)
Show SMILES Oc1cc2CCN(CC=C)C[C@@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14/h2-7,11-12,17,21-22H,1,8-10,13H2/t17-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum


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


(Rattus norvegicus (rat))
BDBM50004919
PNG
((R)(+)-BrAPB | CHEMBL286424 | S-(-)-6-Br-APD3-Ally...)
Show SMILES Oc1cc2[C@@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum


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


(Rattus norvegicus (rat))
BDBM50004924
PNG
(CHEMBL286120 | S-(-)-APD3-Allyl-1-phenyl-2,3,4,5-t...)
Show SMILES Oc1cc2CCN(CC=C)C[C@@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14/h2-7,11-12,17,21-22H,1,8-10,13H2/t17-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum


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


(Rattus norvegicus (rat))
BDBM50004822
PNG
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)
Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum


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


(RAT)
BDBM50004920
PNG
(CHEMBL284746 | S(-)SKF 383931-Phenyl-2,3,4,5-tetra...)
Show SMILES Oc1cc2CCNC[C@@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m0/s1
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n/an/a 1.07E+4n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum


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


(Rattus norvegicus (rat))
BDBM50004920
PNG
(CHEMBL284746 | S(-)SKF 383931-Phenyl-2,3,4,5-tetra...)
Show SMILES Oc1cc2CCNC[C@@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m0/s1
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n/an/a 7.20E+5n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum


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


(Rattus norvegicus (rat))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
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n/an/a 7.20E+5n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum


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