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PubMed code 1956042

Compile data set for download or QSAR
Found 39 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.0600n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010301
PNG
(8-Bromo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES CN1CCc2cc(Br)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18BrNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010294
PNG
((R)6-({2-[4-(7-Nitro-benzo[1,2,5]oxadiazol-4-ylami...)
Show SMILES CCCN(CCc1ccc(Nc2ccc([N+]([O-])=O)c3n[o+][n-]c23)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C27H29N5O4/c1-2-15-31(21-10-11-22-19(17-21)4-3-5-25(22)33)16-14-18-6-8-20(9-7-18)28-23-12-13-24(32(34)35)27-26(23)29-36-30-27/h3-9,12-13,21,28,33H,2,10-11,14-17H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010294
PNG
((R)6-({2-[4-(7-Nitro-benzo[1,2,5]oxadiazol-4-ylami...)
Show SMILES CCCN(CCc1ccc(Nc2ccc([N+]([O-])=O)c3n[o+][n-]c23)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C27H29N5O4/c1-2-15-31(21-10-11-22-19(17-21)4-3-5-25(22)33)16-14-18-6-8-20(9-7-18)28-23-12-13-24(32(34)35)27-26(23)29-36-30-27/h3-9,12-13,21,28,33H,2,10-11,14-17H2,1H3
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0.450n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010292
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-{2-[4-(7-nit...)
Show SMILES [O-][N+](=O)c1ccc(Nc2ccc(CCN3CN(c4ccccc4)C4(CCN(CCCC(=O)c5ccc(F)cc5)CC4)C3=O)cc2)c2[n-][o+]nc12
Show InChI InChI=1S/C37H36FN7O5/c38-28-12-10-27(11-13-28)33(46)7-4-21-42-23-19-37(20-24-42)36(47)43(25-44(37)30-5-2-1-3-6-30)22-18-26-8-14-29(15-9-26)39-31-16-17-32(45(48)49)35-34(31)40-50-41-35/h1-3,5-6,8-17,39H,4,7,18-25H2
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0.660n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50453025
PNG
(CHEMBL612083)
Show SMILES CCCN(CCc1ccccc1)[C@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3/t19-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010290
PNG
(5-(4-Amino-phenyl)-8-bromo-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Br)c(O)cc2C(C1)c1ccc(N)cc1
Show InChI InChI=1S/C17H19BrN2O/c1-20-7-6-12-8-16(18)17(21)9-14(12)15(10-20)11-2-4-13(19)5-3-11/h2-5,8-9,15,21H,6-7,10,19H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010294
PNG
((R)6-({2-[4-(7-Nitro-benzo[1,2,5]oxadiazol-4-ylami...)
Show SMILES CCCN(CCc1ccc(Nc2ccc([N+]([O-])=O)c3n[o+][n-]c23)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C27H29N5O4/c1-2-15-31(21-10-11-22-19(17-21)4-3-5-25(22)33)16-14-18-6-8-20(9-7-18)28-23-12-13-24(32(34)35)27-26(23)29-36-30-27/h3-9,12-13,21,28,33H,2,10-11,14-17H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010296
PNG
((S)3',6'-dihydroxy-5-[4-{2-[5-hydroxy-1,2,3,4-tetr...)
Show SMILES CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)cc1)[C@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C42H39N3O6S/c1-2-19-45(29-11-14-32-26(21-29)4-3-5-37(32)48)20-18-25-6-8-27(9-7-25)43-41(52)44-28-10-15-34-33(22-28)40(49)51-42(34)35-16-12-30(46)23-38(35)50-39-24-31(47)13-17-36(39)42/h3-10,12-13,15-17,22-24,29,46-48H,2,11,14,18-21H2,1H3,(H2,43,44,52)/t29-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010295
PNG
(8-Bromo-3-methyl-5-[4-(7-nitro-benzo[1,2,5]oxadiaz...)
Show SMILES CN1CCc2cc(Br)c(O)cc2C(C1)c1ccc(Nc2ccc([N+]([O-])=O)c3n[o+][n-]c23)cc1
Show InChI InChI=1S/C23H20BrN5O4/c1-28-9-8-14-10-18(24)21(30)11-16(14)17(12-28)13-2-4-15(5-3-13)25-19-6-7-20(29(31)32)23-22(19)26-33-27-23/h2-7,10-11,17,25,30H,8-9,12H2,1H3
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5.30n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50453024
PNG
(CHEMBL2092940)
Show SMILES CCCN(CCc1ccc(C)cc1)[C@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C22H29NO/c1-3-14-23(15-13-18-9-7-17(2)8-10-18)20-11-12-21-19(16-20)5-4-6-22(21)24/h4-10,20,24H,3,11-16H2,1-2H3/t20-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010293
PNG
((RS)6-{[2-(4-Amino-phenyl)-ethyl]-propyl-amino}-5,...)
Show SMILES CCCN(CCc1ccc(N)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H28N2O/c1-2-13-23(14-12-16-6-8-18(22)9-7-16)19-10-11-20-17(15-19)4-3-5-21(20)24/h3-9,19,24H,2,10-15,22H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010300
PNG
((RS)3',6'-dihydroxy-5-[4-{2-[5-hydroxy-1,2,3,4-tet...)
Show SMILES CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C42H39N3O6S/c1-2-19-45(29-11-14-32-26(21-29)4-3-5-37(32)48)20-18-25-6-8-27(9-7-25)43-41(52)44-28-10-15-34-33(22-28)40(49)51-42(34)35-16-12-30(46)23-38(35)50-39-24-31(47)13-17-36(39)42/h3-10,12-13,15-17,22-24,29,46-48H,2,11,14,18-21H2,1H3,(H2,43,44,52)
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7n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010289
PNG
((R)6-(Phenethyl-propyl-amino)-5,6,7,8-tetrahydro-n...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3
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13n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010288
PNG
(5-[4-(7-bromo-8-hydroxy-3-methyl-2,3,4,5-tetrahydr...)
Show SMILES CN1CCc2cc(Br)c(O)cc2C(C1)c1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C38H30BrN3O6S/c1-42-13-12-21-14-32(39)33(45)18-26(21)28(19-42)20-2-4-22(5-3-20)40-37(49)41-23-6-9-29-27(15-23)36(46)48-38(29)30-10-7-24(43)16-34(30)47-35-17-25(44)8-11-31(35)38/h2-11,14-18,28,43-45H,12-13,19H2,1H3,(H2,40,41,49)
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16n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50368154
PNG
(CHEMBL606939)
Show SMILES CCCN(CCc1ccccc1)[C@@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3/t19-/m1/s1
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60n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010292
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-{2-[4-(7-nit...)
Show SMILES [O-][N+](=O)c1ccc(Nc2ccc(CCN3CN(c4ccccc4)C4(CCN(CCCC(=O)c5ccc(F)cc5)CC4)C3=O)cc2)c2[n-][o+]nc12
Show InChI InChI=1S/C37H36FN7O5/c38-28-12-10-27(11-13-28)33(46)7-4-21-42-23-19-37(20-24-42)36(47)43(25-44(37)30-5-2-1-3-6-30)22-18-26-8-14-29(15-9-26)39-31-16-17-32(45(48)49)35-34(31)40-50-41-35/h1-3,5-6,8-17,39H,4,7,18-25H2
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99n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010299
PNG
((R)3',6'-dihydroxy-5-[4-{2-[5-hydroxy-1,2,3,4-tetr...)
Show SMILES CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)cc1)[C@@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C42H39N3O6S/c1-2-19-45(29-11-14-32-26(21-29)4-3-5-37(32)48)20-18-25-6-8-27(9-7-25)43-41(52)44-28-10-15-34-33(22-28)40(49)51-42(34)35-16-12-30(46)23-38(35)50-39-24-31(47)13-17-36(39)42/h3-10,12-13,15-17,22-24,29,46-48H,2,11,14,18-21H2,1H3,(H2,43,44,52)/t29-/m1/s1
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110n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
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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130n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010294
PNG
((R)6-({2-[4-(7-Nitro-benzo[1,2,5]oxadiazol-4-ylami...)
Show SMILES CCCN(CCc1ccc(Nc2ccc([N+]([O-])=O)c3n[o+][n-]c23)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C27H29N5O4/c1-2-15-31(21-10-11-22-19(17-21)4-3-5-25(22)33)16-14-18-6-8-20(9-7-18)28-23-12-13-24(32(34)35)27-26(23)29-36-30-27/h3-9,12-13,21,28,33H,2,10-11,14-17H2,1H3
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130n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010294
PNG
((R)6-({2-[4-(7-Nitro-benzo[1,2,5]oxadiazol-4-ylami...)
Show SMILES CCCN(CCc1ccc(Nc2ccc([N+]([O-])=O)c3n[o+][n-]c23)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C27H29N5O4/c1-2-15-31(21-10-11-22-19(17-21)4-3-5-25(22)33)16-14-18-6-8-20(9-7-18)28-23-12-13-24(32(34)35)27-26(23)29-36-30-27/h3-9,12-13,21,28,33H,2,10-11,14-17H2,1H3
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170n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50368153
PNG
(CHEMBL1159663)
Show SMILES CCCN(CCc1ccc(C)cc1)[C@@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C22H29NO/c1-3-14-23(15-13-18-9-7-17(2)8-10-18)20-11-12-21-19(16-20)5-4-6-22(21)24/h4-10,20,24H,3,11-16H2,1-2H3/t20-/m1/s1
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170n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50453025
PNG
(CHEMBL612083)
Show SMILES CCCN(CCc1ccccc1)[C@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3/t19-/m0/s1
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230n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010296
PNG
((S)3',6'-dihydroxy-5-[4-{2-[5-hydroxy-1,2,3,4-tetr...)
Show SMILES CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)cc1)[C@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C42H39N3O6S/c1-2-19-45(29-11-14-32-26(21-29)4-3-5-37(32)48)20-18-25-6-8-27(9-7-25)43-41(52)44-28-10-15-34-33(22-28)40(49)51-42(34)35-16-12-30(46)23-38(35)50-39-24-31(47)13-17-36(39)42/h3-10,12-13,15-17,22-24,29,46-48H,2,11,14,18-21H2,1H3,(H2,43,44,52)/t29-/m0/s1
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260n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50453024
PNG
(CHEMBL2092940)
Show SMILES CCCN(CCc1ccc(C)cc1)[C@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C22H29NO/c1-3-14-23(15-13-18-9-7-17(2)8-10-18)20-11-12-21-19(16-20)5-4-6-22(21)24/h4-10,20,24H,3,11-16H2,1-2H3/t20-/m0/s1
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270n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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323n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010300
PNG
((RS)3',6'-dihydroxy-5-[4-{2-[5-hydroxy-1,2,3,4-tet...)
Show SMILES CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C42H39N3O6S/c1-2-19-45(29-11-14-32-26(21-29)4-3-5-37(32)48)20-18-25-6-8-27(9-7-25)43-41(52)44-28-10-15-34-33(22-28)40(49)51-42(34)35-16-12-30(46)23-38(35)50-39-24-31(47)13-17-36(39)42/h3-10,12-13,15-17,22-24,29,46-48H,2,11,14,18-21H2,1H3,(H2,43,44,52)
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340n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010295
PNG
(8-Bromo-3-methyl-5-[4-(7-nitro-benzo[1,2,5]oxadiaz...)
Show SMILES CN1CCc2cc(Br)c(O)cc2C(C1)c1ccc(Nc2ccc([N+]([O-])=O)c3n[o+][n-]c23)cc1
Show InChI InChI=1S/C23H20BrN5O4/c1-28-9-8-14-10-18(24)21(30)11-16(14)17(12-28)13-2-4-15(5-3-13)25-19-6-7-20(29(31)32)23-22(19)26-33-27-23/h2-7,10-11,17,25,30H,8-9,12H2,1H3
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710n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010293
PNG
((RS)6-{[2-(4-Amino-phenyl)-ethyl]-propyl-amino}-5,...)
Show SMILES CCCN(CCc1ccc(N)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H28N2O/c1-2-13-23(14-12-16-6-8-18(22)9-7-16)19-10-11-20-17(15-19)4-3-5-21(20)24/h3-9,19,24H,2,10-15,22H2,1H3
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710n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010289
PNG
((R)6-(Phenethyl-propyl-amino)-5,6,7,8-tetrahydro-n...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3
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804n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010301
PNG
(8-Bromo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES CN1CCc2cc(Br)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18BrNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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1.36E+3n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010290
PNG
(5-(4-Amino-phenyl)-8-bromo-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Br)c(O)cc2C(C1)c1ccc(N)cc1
Show InChI InChI=1S/C17H19BrN2O/c1-20-7-6-12-8-16(18)17(21)9-14(12)15(10-20)11-2-4-13(19)5-3-11/h2-5,8-9,15,21H,6-7,10,19H2,1H3
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1.60E+3n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010294
PNG
((R)6-({2-[4-(7-Nitro-benzo[1,2,5]oxadiazol-4-ylami...)
Show SMILES CCCN(CCc1ccc(Nc2ccc([N+]([O-])=O)c3n[o+][n-]c23)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C27H29N5O4/c1-2-15-31(21-10-11-22-19(17-21)4-3-5-25(22)33)16-14-18-6-8-20(9-7-18)28-23-12-13-24(32(34)35)27-26(23)29-36-30-27/h3-9,12-13,21,28,33H,2,10-11,14-17H2,1H3
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3.70E+3n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50368153
PNG
(CHEMBL1159663)
Show SMILES CCCN(CCc1ccc(C)cc1)[C@@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C22H29NO/c1-3-14-23(15-13-18-9-7-17(2)8-10-18)20-11-12-21-19(16-20)5-4-6-22(21)24/h4-10,20,24H,3,11-16H2,1-2H3/t20-/m1/s1
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4.90E+3n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010288
PNG
(5-[4-(7-bromo-8-hydroxy-3-methyl-2,3,4,5-tetrahydr...)
Show SMILES CN1CCc2cc(Br)c(O)cc2C(C1)c1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C38H30BrN3O6S/c1-42-13-12-21-14-32(39)33(45)18-26(21)28(19-42)20-2-4-22(5-3-20)40-37(49)41-23-6-9-29-27(15-23)36(46)48-38(29)30-10-7-24(43)16-34(30)47-35-17-25(44)8-11-31(35)38/h2-11,14-18,28,43-45H,12-13,19H2,1H3,(H2,40,41,49)
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>5.00E+3n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50368154
PNG
(CHEMBL606939)
Show SMILES CCCN(CCc1ccccc1)[C@@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3/t19-/m1/s1
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6.50E+3n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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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6.50E+3n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010291
PNG
(5-[4-(7,8-dihydroxy-2,3,4,5-tetrahydro-1H-benzo[d]...)
Show SMILES Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3cc(NC(=S)Nc4ccc(cc4)C4CNCCc5cc(O)c(O)cc45)ccc23)c1
Show InChI InChI=1S/C37H29N3O7S/c41-23-6-9-29-33(15-23)46-34-16-24(42)7-10-30(34)37(29)28-8-5-22(14-26(28)35(45)47-37)40-36(48)39-21-3-1-19(2-4-21)27-18-38-12-11-20-13-31(43)32(44)17-25(20)27/h1-10,13-17,27,38,41-44H,11-12,18H2,(H2,39,40,48)
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1.00E+4n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50010299
PNG
((R)3',6'-dihydroxy-5-[4-{2-[5-hydroxy-1,2,3,4-tetr...)
Show SMILES CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)cc1)[C@@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C42H39N3O6S/c1-2-19-45(29-11-14-32-26(21-29)4-3-5-37(32)48)20-18-25-6-8-27(9-7-25)43-41(52)44-28-10-15-34-33(22-28)40(49)51-42(34)35-16-12-30(46)23-38(35)50-39-24-31(47)13-17-36(39)42/h3-10,12-13,15-17,22-24,29,46-48H,2,11,14,18-21H2,1H3,(H2,43,44,52)/t29-/m1/s1
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2.40E+4n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


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