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Compile Data Set for Download or QSAR

Found 241 hits with Last Name = 'baindur' and Initial = 'n'   
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


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/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/t15-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


J Med Chem 35: 67-72 (1992)


BindingDB Entry DOI: 10.7270/Q2P84CHC
More data for this
Ligand-Target Pair
D(1A) 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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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


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
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


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
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




J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50368313
PNG
(CHEMBL1744079)
Show SMILES CN1CCc2cc(Br)c(O)cc2[C@H](C1)c1ccccc1 |r|
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/t15-/m1/s1
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0.580n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


J Med Chem 35: 67-72 (1992)


BindingDB Entry DOI: 10.7270/Q2P84CHC
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


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004793
PNG
(3-Allyl-8-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES Oc1cc2C(CN(CC=C)CCc2cc1Br)c1ccccc1
Show InChI InChI=1S/C19H20BrNO/c1-2-9-21-10-8-15-11-18(20)19(22)12-16(15)17(13-21)14-6-4-3-5-7-14/h2-7,11-12,17,22H,1,8-10,13H2
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0.900n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


J Med Chem 35: 67-72 (1992)


BindingDB Entry DOI: 10.7270/Q2P84CHC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007702
PNG
(6-Chloro-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO2/c1-19-8-7-12-13(9-15(20)17(21)16(12)18)14(10-19)11-5-3-2-4-6-11/h2-6,9,14,20-21H,7-8,10H2,1H3
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0.900n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at dopamine receptor D1


J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
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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1.10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL




J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004792
PNG
(3-Allyl-8-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES Oc1cc2C(CN(CC=C)CCc2cc1Cl)c1ccccc1
Show InChI InChI=1S/C19H20ClNO/c1-2-9-21-10-8-15-11-18(20)19(22)12-16(15)17(13-21)14-6-4-3-5-7-14/h2-7,11-12,17,22H,1,8-10,13H2
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1.20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


J Med Chem 35: 67-72 (1992)


BindingDB Entry DOI: 10.7270/Q2P84CHC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007700
PNG
(6-Bromo-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES CN1CCc2c(Br)c(O)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18BrNO2/c1-19-8-7-12-13(9-15(20)17(21)16(12)18)14(10-19)11-5-3-2-4-6-11/h2-6,9,14,20-21H,7-8,10H2,1H3
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1.20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at dopamine receptor D1


J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50453025
PNG
(CHEMBL612083)
Show SMILES [H][C@@]1(CCc2c(O)cccc2C1)N(CCC)CCc1ccccc1 |r|
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


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(RAT)
BDBM50231571
PNG
(CHEMBL3350845)
Show SMILES CCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:7,12|
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2.20n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL




J Med Chem 36: 3743-5 (1994)


BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
D(1A) 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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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


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(RAT)
BDBM50231574
PNG
(CHEMBL3350842)
Show SMILES CCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:11,16|
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2.40n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL




J Med Chem 36: 3743-5 (1994)


BindingDB Entry DOI: 10.7270/Q2C24X29
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


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50336640
PNG
((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10|
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
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3.5n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004797
PNG
(8-Bromo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]aze...)
Show SMILES Oc1cc2C(CNCCc2cc1Br)c1ccccc1
Show InChI InChI=1S/C16H16BrNO/c17-15-8-12-6-7-18-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,18-19H,6-7,10H2
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4.10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


J Med Chem 35: 67-72 (1992)


BindingDB Entry DOI: 10.7270/Q2P84CHC
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


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004796
PNG
(8-Chloro-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2cc1Cl)c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c17-15-8-12-6-7-18-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,18-19H,6-7,10H2
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4.90n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


J Med Chem 35: 67-72 (1992)


BindingDB Entry DOI: 10.7270/Q2P84CHC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at dopamine receptor D1


J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
D(1A) 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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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


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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5.5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at Dopamine receptor D1


J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50368312
PNG
(CHEMBL1744078 | SCH-23982)
Show SMILES CN1CCc2ccc(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H19NO/c1-18-10-9-14-7-8-15(19)11-16(14)17(12-18)13-5-3-2-4-6-13/h2-8,11,17,19H,9-10,12H2,1H3/t17-/m1/s1
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6n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


J Med Chem 35: 67-72 (1992)


BindingDB Entry DOI: 10.7270/Q2P84CHC
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 |r|
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


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
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


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
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


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM86282
PNG
(6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
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7n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at dopamine receptor D1


J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM81986
PNG
(3-Methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES CN1CCc2cc(O)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H19NO2/c1-18-8-7-13-9-16(19)17(20)10-14(13)15(11-18)12-5-3-2-4-6-12/h2-6,9-10,15,19-20H,7-8,11H2,1H3
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8.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at dopamine receptor D1


J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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12n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at Dopamine receptor D1


J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007698
PNG
(6-Bromo-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]aze...)
Show SMILES Oc1cc2C(CNCCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C16H16BrNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
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12n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at Dopamine receptor D1


J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
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


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(RAT)
BDBM50231573
PNG
(CHEMBL3350846)
Show SMILES CCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:13,18|
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14n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL




J Med Chem 36: 3743-5 (1994)


BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
D(1A) 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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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


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(RAT)
BDBM50231570
PNG
(CHEMBL3350843)
Show SMILES CCCCCCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:17,22|
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16n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL




J Med Chem 36: 3743-5 (1994)


BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(RAT)
BDBM50231572
PNG
(CHEMBL3350844)
Show SMILES CCCCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:15,20|
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17n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL




J Med Chem 36: 3743-5 (1994)


BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50042752
PNG
(CHEMBL122740 | {12-[5-Methoxycarbonyl-2,6-dimethyl...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCCCCCCCCC[N+](C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F |c:28,t:25|
Show InChI InChI=1S/C32H48F3N2O4/c1-23-27(30(38)40-6)29(25-19-15-16-20-26(25)32(33,34)35)28(24(2)36-23)31(39)41-22-18-14-12-10-8-7-9-11-13-17-21-37(3,4)5/h15-16,19-20,27,29H,7-14,17-18,21-22H2,1-6H3/q+1
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17n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50042750
PNG
(CHEMBL410937 | {8-[5-Methoxycarbonyl-2,6-dimethyl-...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCCCCC[N+](C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F |c:24,t:21|
Show InChI InChI=1S/C28H40F3N2O4/c1-19-23(26(34)36-6)25(21-15-11-12-16-22(21)28(29,30)31)24(20(2)32-19)27(35)37-18-14-10-8-7-9-13-17-33(3,4)5/h11-12,15-16,23,25H,7-10,13-14,17-18H2,1-6H3/q+1
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17n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/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/t15-/m1/s1
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18n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-SCH- 23390 binding to Dopamine receptor D1 of canine striatal membranes


J Med Chem 33: 521-6 (1990)


BindingDB Entry DOI: 10.7270/Q22J69VZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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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19n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards Dopamine receptor D2 at low affinity state


J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM82248
PNG
(CAS_73445-63-3 | SCH 23388 (S-enantiomer))
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/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/t15-/m0/s1
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20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Ability to partially antagonise [3H]-SCH- 23388 binding to the Dopamine receptor D2


J Med Chem 31: 2069-71 (1988)


BindingDB Entry DOI: 10.7270/Q2B56K9S
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/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/t15-/m1/s1
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24n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL




J Med Chem 33: 521-6 (1990)


BindingDB Entry DOI: 10.7270/Q22J69VZ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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25n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at Dopamine receptor D1


J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50016004
PNG
(CHEMBL356597 | S-[5-(4-Azido-phenyl)-8-iodo-3-meth...)
Show SMILES CN1CCc2cc(I)c(O)cc2[C@H](C1)c1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C17H17IN4O/c1-22-7-6-12-8-16(18)17(23)9-14(12)15(10-22)11-2-4-13(5-3-11)20-21-19/h2-5,8-9,15,23H,6-7,10H2,1H3/t15-/m1/s1
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28n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-SCH- 23390 binding to Dopamine receptor D1 of canine striatal membranes


J Med Chem 33: 521-6 (1990)


BindingDB Entry DOI: 10.7270/Q22J69VZ
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/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/t15-/m1/s1
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37n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit the dopamine-stimulated adenylate-cyclase activity in dispersed cells of bovine parathyroid gland


J Med Chem 33: 521-6 (1990)


BindingDB Entry DOI: 10.7270/Q22J69VZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007698
PNG
(6-Bromo-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]aze...)
Show SMILES Oc1cc2C(CNCCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C16H16BrNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
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39n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards Dopamine receptor D2 at high affinity state.


J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004791
PNG
(3-Allyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]aze...)
Show SMILES Oc1ccc2CCN(CC=C)CC(c3ccccc3)c2c1
Show InChI InChI=1S/C19H21NO/c1-2-11-20-12-10-16-8-9-17(21)13-18(16)19(14-20)15-6-4-3-5-7-15/h2-9,13,19,21H,1,10-12,14H2
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48n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


J Med Chem 35: 67-72 (1992)


BindingDB Entry DOI: 10.7270/Q2P84CHC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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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55n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards Dopamine receptor D2 at low affinity state


J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
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 |r|
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


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
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