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PubMed code 8765528

Compile data set for download or QSAR
Found 16 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)
BDBM50052734
PNG
(8-Chloro-3-[(E)-3-(4-dimethylamino-phenyl)-allyl]-...)
Show SMILES CN(C)c1ccc(\C=C\CN2CCc3cc(Cl)c(O)cc3C(C2)c2ccccc2)cc1
Show InChI InChI=1S/C27H29ClN2O/c1-29(2)23-12-10-20(11-13-23)7-6-15-30-16-14-22-17-26(28)27(31)18-24(22)25(19-30)21-8-4-3-5-9-21/h3-13,17-18,25,31H,14-16,19H2,1-2H3/b7-6+
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18n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Dopamine receptor D1 antagonistic activity as ability to block dopamine-stimulated adenylate cyclase in rat caudate


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50029340
PNG
(8-Chloro-3-(6-dimethylamino-hexyl)-5-phenyl-2,3,4,...)
Show SMILES CN(C)CCCCCCN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C24H33ClN2O/c1-26(2)13-8-3-4-9-14-27-15-12-20-16-23(25)24(28)17-21(20)22(18-27)19-10-6-5-7-11-19/h5-7,10-11,16-17,22,28H,3-4,8-9,12-15,18H2,1-2H3
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21n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Dopamine receptor D1 antagonistic activity as ability to block dopamine-stimulated adenylate cyclase in rat caudate


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50029340
PNG
(8-Chloro-3-(6-dimethylamino-hexyl)-5-phenyl-2,3,4,...)
Show SMILES CN(C)CCCCCCN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C24H33ClN2O/c1-26(2)13-8-3-4-9-14-27-15-12-20-16-23(25)24(28)17-21(20)22(18-27)19-10-6-5-7-11-19/h5-7,10-11,16-17,22,28H,3-4,8-9,12-15,18H2,1-2H3
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49n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D1 binding measured by competition against [3H]-SCH- 23390 to rat striatal membrane


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50052734
PNG
(8-Chloro-3-[(E)-3-(4-dimethylamino-phenyl)-allyl]-...)
Show SMILES CN(C)c1ccc(\C=C\CN2CCc3cc(Cl)c(O)cc3C(C2)c2ccccc2)cc1
Show InChI InChI=1S/C27H29ClN2O/c1-29(2)23-12-10-20(11-13-23)7-6-15-30-16-14-22-17-26(28)27(31)18-24(22)25(19-30)21-8-4-3-5-9-21/h3-13,17-18,25,31H,14-16,19H2,1-2H3/b7-6+
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60.7n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was tested for the Binding affinity against Human cloned Dopamine receptor D1 by Radio ligand ([3H]-SCH-23390) binding assay


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50052733
PNG
(8-Chloro-3-[2-(4-dimethylamino-phenyl)-ethyl]-5-ph...)
Show SMILES CN(C)c1ccc(CCN2CCc3cc(Cl)c(O)cc3C(C2)c2ccccc2)cc1
Show InChI InChI=1S/C26H29ClN2O/c1-28(2)22-10-8-19(9-11-22)12-14-29-15-13-21-16-25(27)26(30)17-23(21)24(18-29)20-6-4-3-5-7-20/h3-11,16-17,24,30H,12-15,18H2,1-2H3
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88.4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D1 binding measured by competition against [3H]-SCH- 23390 to rat striatal membrane


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50052736
PNG
(8-Bromo-3-[(E)-3-(4-dimethylamino-phenyl)-allyl]-5...)
Show SMILES CN(C)c1ccc(\C=C\CN2CCc3cc(Br)c(O)cc3C(C2)c2ccccc2)cc1
Show InChI InChI=1S/C27H29BrN2O/c1-29(2)23-12-10-20(11-13-23)7-6-15-30-16-14-22-17-26(28)27(31)18-24(22)25(19-30)21-8-4-3-5-9-21/h3-13,17-18,25,31H,14-16,19H2,1-2H3/b7-6+
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120n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for dopamine receptor D1 binding measured by competition against [3H]-SCH- 23390 to rat striatal membrane


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50052732
PNG
(8-Bromo-5-phenyl-3-((E)-3-phenyl-allyl)-2,3,4,5-te...)
Show SMILES Oc1cc2C(CN(C\C=C\c3ccccc3)CCc2cc1Br)c1ccccc1
Show InChI InChI=1S/C25H24BrNO/c26-24-16-21-13-15-27(14-7-10-19-8-3-1-4-9-19)18-23(22(21)17-25(24)28)20-11-5-2-6-12-20/h1-12,16-17,23,28H,13-15,18H2/b10-7+
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209n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for dopamine receptor D1 binding measured by competition against [3H]-SCH- 23390 to rat striatal membrane


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052734
PNG
(8-Chloro-3-[(E)-3-(4-dimethylamino-phenyl)-allyl]-...)
Show SMILES CN(C)c1ccc(\C=C\CN2CCc3cc(Cl)c(O)cc3C(C2)c2ccccc2)cc1
Show InChI InChI=1S/C27H29ClN2O/c1-29(2)23-12-10-20(11-13-23)7-6-15-30-16-14-22-17-26(28)27(31)18-24(22)25(19-30)21-8-4-3-5-9-21/h3-13,17-18,25,31H,14-16,19H2,1-2H3/b7-6+
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345n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 binding measured by sulpiride 23390 to rat striatal membrane


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50029341
PNG
(8-Chloro-3-(4-dimethylamino-butyl)-5-phenyl-2,3,4,...)
Show SMILES CN(C)CCCCN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C22H29ClN2O/c1-24(2)11-6-7-12-25-13-10-18-14-21(23)22(26)15-19(18)20(16-25)17-8-4-3-5-9-17/h3-5,8-9,14-15,20,26H,6-7,10-13,16H2,1-2H3
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811n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D1 binding measured by competition against [3H]-SCH- 23390 to rat striatal membrane


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052736
PNG
(8-Bromo-3-[(E)-3-(4-dimethylamino-phenyl)-allyl]-5...)
Show SMILES CN(C)c1ccc(\C=C\CN2CCc3cc(Br)c(O)cc3C(C2)c2ccccc2)cc1
Show InChI InChI=1S/C27H29BrN2O/c1-29(2)23-12-10-20(11-13-23)7-6-15-30-16-14-22-17-26(28)27(31)18-24(22)25(19-30)21-8-4-3-5-9-21/h3-13,17-18,25,31H,14-16,19H2,1-2H3/b7-6+
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858n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 binding measured by sulpiride 23390 to rat striatal membrane


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052737
PNG
(CHEMBL423510 | {4-[(E)-3-(7-Chloro-8-methoxy-1-phe...)
Show SMILES COc1cc2C(CN(C\C=C\c3ccc(cc3)N(C)C)CCc2cc1Cl)c1ccccc1
Show InChI InChI=1S/C28H31ClN2O/c1-30(2)24-13-11-21(12-14-24)8-7-16-31-17-15-23-18-27(29)28(32-3)19-25(23)26(20-31)22-9-5-4-6-10-22/h4-14,18-19,26H,15-17,20H2,1-3H3/b8-7+
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1.72E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 binding measured by sulpiride 23390 to rat striatal membrane


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052735
PNG
(CHEMBL114143 | {4-[(E)-3-(7-Bromo-8-methoxy-1-phen...)
Show SMILES COc1cc2C(CN(C\C=C\c3ccc(cc3)N(C)C)CCc2cc1Br)c1ccccc1
Show InChI InChI=1S/C28H31BrN2O/c1-30(2)24-13-11-21(12-14-24)8-7-16-31-17-15-23-18-27(29)28(32-3)19-25(23)26(20-31)22-9-5-4-6-10-22/h4-14,18-19,26H,15-17,20H2,1-3H3/b8-7+
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2.00E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 binding measured by sulpiride 23390 to rat striatal membrane


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50029341
PNG
(8-Chloro-3-(4-dimethylamino-butyl)-5-phenyl-2,3,4,...)
Show SMILES CN(C)CCCCN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C22H29ClN2O/c1-24(2)11-6-7-12-25-13-10-18-14-21(23)22(26)15-19(18)20(16-25)17-8-4-3-5-9-17/h3-5,8-9,14-15,20,26H,6-7,10-13,16H2,1-2H3
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3.45E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 binding measured by sulpiride 23390 to rat striatal membrane


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50029340
PNG
(8-Chloro-3-(6-dimethylamino-hexyl)-5-phenyl-2,3,4,...)
Show SMILES CN(C)CCCCCCN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C24H33ClN2O/c1-26(2)13-8-3-4-9-14-27-15-12-20-16-23(25)24(28)17-21(20)22(18-27)19-10-6-5-7-11-19/h5-7,10-11,16-17,22,28H,3-4,8-9,12-15,18H2,1-2H3
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4.13E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 binding measured by sulpiride 23390 to rat striatal membrane


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50052735
PNG
(CHEMBL114143 | {4-[(E)-3-(7-Bromo-8-methoxy-1-phen...)
Show SMILES COc1cc2C(CN(C\C=C\c3ccc(cc3)N(C)C)CCc2cc1Br)c1ccccc1
Show InChI InChI=1S/C28H31BrN2O/c1-30(2)24-13-11-21(12-14-24)8-7-16-31-17-15-23-18-27(29)28(32-3)19-25(23)26(20-31)22-9-5-4-6-10-22/h4-14,18-19,26H,15-17,20H2,1-3H3/b8-7+
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was tested for the Binding affinity against Human cloned Dopamine receptor D1 by Radio ligand ([3H]-SCH-23390) binding assay


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50052737
PNG
(CHEMBL423510 | {4-[(E)-3-(7-Chloro-8-methoxy-1-phe...)
Show SMILES COc1cc2C(CN(C\C=C\c3ccc(cc3)N(C)C)CCc2cc1Cl)c1ccccc1
Show InChI InChI=1S/C28H31ClN2O/c1-30(2)24-13-11-21(12-14-24)8-7-16-31-17-15-23-18-27(29)28(32-3)19-25(23)26(20-31)22-9-5-4-6-10-22/h4-14,18-19,26H,15-17,20H2,1-3H3/b8-7+
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was tested for the Binding affinity against Human cloned Dopamine receptor D1 by Radio ligand ([3H]-SCH-23390) binding assay


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%