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Compile Data Set for Download or QSAR

Found 1716 hits Enz. Inhib. hit(s) with Target = 'Dopamine D1 and D2 receptor' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 D1 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
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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0.100n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human recombinant D1 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 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
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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0.100n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 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
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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0.110n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 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
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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0.150n/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)

More data for this
Ligand-Target Pair
Dopamine D1 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
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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0.150n/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)

More data for this
Ligand-Target Pair
Dopamine D1 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
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



Duke University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 88: 7491-5 (1991)

More data for this
Ligand-Target Pair
Dopamine D1 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
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)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM50306440
PNG
(11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(\C=N\OCc3ccccc3)cccc21
Show InChI InChI=1S/C27H27ClN2O2/c1-30-13-12-19-14-24(28)26(31)15-23(19)27-22-9-5-8-20(21(22)10-11-25(27)30)16-29-32-17-18-6-3-2-4-7-18/h2-9,14-16,25,27,31H,10-13,17H2,1H3/b29-16+/t25-,27+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


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


(Homo sapiens (Human))
BDBM50306314
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(C2CCC2)C(C)=O)cc1
Show InChI InChI=1S/C24H29ClN2O2/c1-16(28)27(20-4-3-5-20)14-17-6-8-18(9-7-17)22-15-26(2)11-10-19-12-23(25)24(29)13-21(19)22/h6-9,12-13,20,22,29H,3-5,10-11,14-15H2,1-2H3/t22-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


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


(Homo sapiens (Human))
BDBM50306442
PNG
((6aS,13bS)-11-chloro-7-methyl-4-phenyl-6,6a,7,8,9,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccccc1
Show InChI InChI=1S/C25H24ClNO/c1-27-13-12-17-14-22(26)24(28)15-21(17)25-20-9-5-8-18(16-6-3-2-4-7-16)19(20)10-11-23(25)27/h2-9,14-15,23,25,28H,10-13H2,1H3/t23-,25+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 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
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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0.300n/an/an/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]- SCH 23390 against Dopamine receptor D1


J Med Chem 33: 2197-204 (1990)

More data for this
Ligand-Target Pair
Dopamine D1 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)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity determined in radioreceptor binding assay by using [3H]-SCH-23,390 radioligand against dopamine receptor D1


J Med Chem 34: 1707-14 (1991)

More data for this
Ligand-Target Pair
Dopamine D1 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
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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0.300n/an/an/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Compound was tested for the displacement of [3H]-SCH- 23390 from dopamine receptor D1


J Med Chem 35: 502-7 (1992)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity determined in radioreceptor binding assay by using [3H]-SCH-23,390 radioligand against dopamine receptor D1


J Med Chem 34: 1707-14 (1991)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM50306452
PNG
((6aS,13bS)-11-chloro-7-methyl-4-(pyridin-4-yl)-6,6...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccncc1
Show InChI InChI=1S/C24H23ClN2O/c1-27-12-9-16-13-21(25)23(28)14-20(16)24-19-4-2-3-17(15-7-10-26-11-8-15)18(19)5-6-22(24)27/h2-4,7-8,10-11,13-14,22,24,28H,5-6,9,12H2,1H3/t22-,24+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


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



University of Toronto

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 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
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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0.350n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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0.355n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


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


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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0.390n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from D1 dopamine receptor


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


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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0.390n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in CHO cells by scintillation counting


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


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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0.390n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human cloned dopamine D1 receptor expressed in HEK 293 cells


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


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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0.390n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of binding to human D1 receptor expressed in HEK 293 cells by radioligand binding assay


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


(Homo sapiens (Human))
BDBM50010707
PNG
(8-Chloro-3-methyl-5-m-tolyl-2,3,4,5-tetrahydro-1H-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1cccc(C)c1
Show InChI InChI=1S/C18H20ClNO/c1-12-4-3-5-13(8-12)16-11-20(2)7-6-14-9-17(19)18(21)10-15(14)16/h3-5,8-10,16,21H,6-7,11H2,1-2H3/t16-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]- SCH 23390 against Dopamine receptor D1


J Med Chem 33: 2197-204 (1990)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM50306443
PNG
((6aS,13bS)-11-chloro-4-(3-fluorophenyl)-7-methyl-6...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(F)c1
Show InChI InChI=1S/C25H23ClFNO/c1-28-11-10-16-13-22(26)24(29)14-21(16)25-20-7-3-6-18(19(20)8-9-23(25)28)15-4-2-5-17(27)12-15/h2-7,12-14,23,25,29H,8-11H2,1H3/t23-,25+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


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


(Homo sapiens (Human))
BDBM50184440
PNG
(1-Chloro-2-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2c(CC1)ccc(O)c2Cl
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-15(13)12-16-14(9-11-20)6-7-17(21)18(16)19/h2-7,21H,8-12H2,1H3
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0.460n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from D1 dopamine receptor


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


(Homo sapiens (Human))
BDBM50184428
PNG
(4-Chloro-3-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-14(13)12-15-6-7-17(21)18(19)16(15)9-11-20/h2-7,21H,8-12H2,1H3
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0.460n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of D1 dopamine receptor in HEK 293 cells by intracellular calcium assay


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


(Homo sapiens (Human))
BDBM50306322
PNG
(CHEMBL597909 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NS(C)(=O)=O)ccc21
Show InChI InChI=1S/C20H23ClN2O3S/c1-23-8-7-13-10-17(21)19(24)11-16(13)20-15-5-4-14(22-27(2,25)26)9-12(15)3-6-18(20)23/h4-5,9-11,18,20,22,24H,3,6-8H2,1-2H3/t18-,20+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


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


(Homo sapiens (Human))
BDBM50306316
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN(Cc1ccc(cc1)[C@H]1CN(C)CCc2cc(Cl)c(O)cc12)S(C)(=O)=O
Show InChI InChI=1S/C20H25ClN2O3S/c1-22-9-8-16-10-19(21)20(24)11-17(16)18(13-22)15-6-4-14(5-7-15)12-23(2)27(3,25)26/h4-7,10-11,18,24H,8-9,12-13H2,1-3H3/t18-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


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


(Homo sapiens (Human))
BDBM50306315
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(C2CCC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H29ClN2O3S/c1-25-11-10-18-12-22(24)23(27)13-20(18)21(15-25)17-8-6-16(7-9-17)14-26(30(2,28)29)19-4-3-5-19/h6-9,12-13,19,21,27H,3-5,10-11,14-15H2,1-2H3/t21-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


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


(Homo sapiens (Human))
BDBM50201338
PNG
(7-methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccc(O)cc21
Show InChI InChI=1S/C20H22N2O/c1-22-10-8-14-4-2-3-5-15(14)12-20-17(9-11-22)18-13-16(23)6-7-19(18)21-20/h2-7,13,21,23H,8-12H2,1H3
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0.560n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human cloned dopamine D1 receptor expressed in HEK 293 cells


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


(Homo sapiens (Human))
BDBM50201338
PNG
(7-methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccc(O)cc21
Show InChI InChI=1S/C20H22N2O/c1-22-10-8-14-4-2-3-5-15(14)12-20-17(9-11-22)18-13-16(23)6-7-19(18)21-20/h2-7,13,21,23H,8-12H2,1H3
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0.562n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


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


(Homo sapiens (Human))
BDBM160878
PNG
(US9107923, 48)
Show SMILES Cc1cc(Oc2ncccc2I)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C18H16IN3O2/c1-10-9-13(24-18-15(19)5-4-8-20-18)6-7-14(10)16-11(2)17(23)22-21-12(16)3/h4-9H,1-3H3,(H,22,23)
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US Patent
0.571n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


US Patent US9107923 (2015)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM50368313
PNG
(CHEMBL1744079)
Show SMILES CN1CCc2cc(Br)c(O)cc2[C@H](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/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)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM50306435
PNG
((6aS,13bS)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(O)cccc21
Show InChI InChI=1S/C19H20ClNO2/c1-21-8-7-11-9-15(20)18(23)10-14(11)19-13-3-2-4-17(22)12(13)5-6-16(19)21/h2-4,9-10,16,19,22-23H,5-8H2,1H3/t16-,19+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


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


(Homo sapiens (Human))
BDBM50306453
PNG
((6aS,13bS)-11-chloro-4-(1H-indol-5-yl)-7-methyl-6,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H25ClN2O/c1-30-12-10-17-14-23(28)26(31)15-22(17)27-21-4-2-3-19(20(21)6-8-25(27)30)16-5-7-24-18(13-16)9-11-29-24/h2-5,7,9,11,13-15,25,27,29,31H,6,8,10,12H2,1H3/t25-,27+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


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


(Homo sapiens (Human))
BDBM50306444
PNG
(3-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(c1)C#N
Show InChI InChI=1S/C26H23ClN2O/c1-29-11-10-18-13-23(27)25(30)14-22(18)26-21-7-3-6-19(20(21)8-9-24(26)29)17-5-2-4-16(12-17)15-28/h2-7,12-14,24,26,30H,8-11H2,1H3/t24-,26+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


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


(Homo sapiens (Human))
BDBM50306445
PNG
((6aS,13bS)-11-chloro-7-methyl-4-(3-nitrophenyl)-6,...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H23ClN2O3/c1-27-11-10-16-13-22(26)24(29)14-21(16)25-20-7-3-6-18(19(20)8-9-23(25)27)15-4-2-5-17(12-15)28(30)31/h2-7,12-14,23,25,29H,8-11H2,1H3/t23-,25+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


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


(Homo sapiens (Human))
BDBM50306317
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN(Cc1ccc(cc1)[C@H]1CN(C)CCc2cc(Cl)c(O)cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H27ClN2O3S/c1-27-13-12-20-14-24(26)25(29)15-22(20)23(17-27)19-10-8-18(9-11-19)16-28(2)32(30,31)21-6-4-3-5-7-21/h3-11,14-15,23,29H,12-13,16-17H2,1-2H3/t23-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


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


(Homo sapiens (Human))
BDBM81490
PNG
(CAS_60197-32-2 | CIS PIFLUTIXOL | NSC_68714 | Pifl...)
Show SMILES OCCC1CCN(CCC=C2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2
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0.650n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 88: 7491-5 (1991)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM50306325
PNG
(1-((6aS,13bR)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NC(=O)Nc3c(Cl)cccc3Cl)ccc21
Show InChI InChI=1S/C26H24Cl3N3O2/c1-32-10-9-15-12-21(29)23(33)13-18(15)24-17-7-6-16(11-14(17)5-8-22(24)32)30-26(34)31-25-19(27)3-2-4-20(25)28/h2-4,6-7,11-13,22,24,33H,5,8-10H2,1H3,(H2,30,31,34)/t22-,24+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


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


(Homo sapiens (Human))
BDBM50306450
PNG
((6aS,13bS)-11-chloro-4-(4-(hydroxymethyl)phenyl)-7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccc(CO)cc1
Show InChI InChI=1S/C26H26ClNO2/c1-28-12-11-18-13-23(27)25(30)14-22(18)26-21-4-2-3-19(20(21)9-10-24(26)28)17-7-5-16(15-29)6-8-17/h2-8,13-14,24,26,29-30H,9-12,15H2,1H3/t24-,26+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


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


(Homo sapiens (Human))
BDBM50306449
PNG
((6aS,13bS)-11-chloro-4-(4-(dimethylamino)phenyl)-7...)
Show SMILES CN(C)c1ccc(cc1)-c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C27H29ClN2O/c1-29(2)19-9-7-17(8-10-19)20-5-4-6-22-21(20)11-12-25-27(22)23-16-26(31)24(28)15-18(23)13-14-30(25)3/h4-10,15-16,25,27,31H,11-14H2,1-3H3/t25-,27+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


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


(Homo sapiens (Human))
BDBM50306448
PNG
((6aS,13bS)-11-chloro-4-(4-methoxyphenyl)-7-methyl-...)
Show SMILES COc1ccc(cc1)-c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C26H26ClNO2/c1-28-13-12-17-14-23(27)25(29)15-22(17)26-21-5-3-4-19(20(21)10-11-24(26)28)16-6-8-18(30-2)9-7-16/h3-9,14-15,24,26,29H,10-13H2,1-2H3/t24-,26+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting


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


(Homo sapiens (Human))
BDBM50306323
PNG
(CHEMBL600986 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)
Show SMILES CCS(=O)(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C21H25ClN2O3S/c1-3-28(26,27)23-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(25)18(22)11-14(17)8-9-24(19)2/h5-6,10-12,19,21,23,25H,3-4,7-9H2,1-2H3/t19-,21+/m0/s1
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PubMed
0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


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


(Homo sapiens (Human))
BDBM50306319
PNG
((R)-5-(4-((benzyl(2,4-difluorophenyl)amino)methyl)...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(Cc2ccccc2)c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C31H29ClF2N2O/c1-35-14-13-24-15-28(32)31(37)17-26(24)27(20-35)23-9-7-22(8-10-23)19-36(18-21-5-3-2-4-6-21)30-12-11-25(33)16-29(30)34/h2-12,15-17,27,37H,13-14,18-20H2,1H3/t27-/m1/s1
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PubMed
0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 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
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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PubMed
0.800n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells


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

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0.800n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM50010717
PNG
(8-Chloro-3-methyl-5-o-tolyl-2,3,4,5-tetrahydro-1H-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1C
Show InChI InChI=1S/C18H20ClNO/c1-12-5-3-4-6-14(12)16-11-20(2)8-7-13-9-17(19)18(21)10-15(13)16/h3-6,9-10,16,21H,7-8,11H2,1-2H3/t16-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]- SCH 23390 against Dopamine receptor D1


J Med Chem 33: 2197-204 (1990)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM50184428
PNG
(4-Chloro-3-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-14(13)12-15-6-7-17(21)18(19)16(15)9-11-20/h2-7,21H,8-12H2,1H3
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PubMed
0.813n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Citation and Details
More data for this
Ligand-Target Pair
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