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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'chang' and Initial = 'wk'   
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(1A) dopamine receptor


(RAT)
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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0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
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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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
In vitro affinity of compound towards dopamine (D1) receptor was determined by measuring their ability to displace [3H]-SCH-23,390 from rat striatal ...


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50004823
PNG
((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to rat striatal homogenate dopamine receptor D1


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50280440
PNG
(8-Chloro-5-cyclohex-2-enyl-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1CCCC=C1 |c:20|
Show InChI InChI=1S/C17H22ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h3,5,9-10,12,15,20H,2,4,6-8,11H2,1H3
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50280435
PNG
(8-Chloro-5-cyclohex-1-enyl-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1=CCCCC1 |t:16|
Show InChI InChI=1S/C17H22ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h5,9-10,15,20H,2-4,6-8,11H2,1H3
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50280434
PNG
(8-Chloro-3-methyl-5-propyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CCCC1CN(C)CCc2cc(Cl)c(O)cc12
Show InChI InChI=1S/C14H20ClNO/c1-3-4-11-9-16(2)6-5-10-7-13(15)14(17)8-12(10)11/h7-8,11,17H,3-6,9H2,1-2H3
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50017815
PNG
(11-Chloro-7-methyl-5,6a,7,8,9,13b-hexahydro-6H-7-a...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C2C1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3
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3.30n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to rat striatal homogenate dopamine receptor D1


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50280443
PNG
(8-Chloro-5-cyclohepta-2,4,6-trienyl-3-methyl-2,3,4...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1C=CC=CC=C1 |c:17,19,21|
Show InChI InChI=1S/C18H20ClNO/c1-20-9-8-14-10-17(19)18(21)11-15(14)16(12-20)13-6-4-2-3-5-7-13/h2-7,10-11,13,16,21H,8-9,12H2,1H3
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3.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50280441
PNG
(8-Chloro-5-cyclopent-1-enyl-3-methyl-2,3,4,5-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1=CCCC1 |t:16|
Show InChI InChI=1S/C16H20ClNO/c1-18-7-6-12-8-15(17)16(19)9-13(12)14(10-18)11-4-2-3-5-11/h4,8-9,14,19H,2-3,5-7,10H2,1H3
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5.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50280439
PNG
(5-Allyl-8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(CC=C)C1
Show InChI InChI=1S/C14H18ClNO/c1-3-4-11-9-16(2)6-5-10-7-13(15)14(17)8-12(10)11/h3,7-8,11,17H,1,4-6,9H2,2H3
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5.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50017818
PNG
(7,11-Dimethyl-5,6a,7,8,9,13b-hexahydro-6H-7-aza-be...)
Show SMILES CN1CCc2cc(C)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-13-11-15-9-10-21(2)18-8-7-14-5-3-4-6-16(14)20(18)17(15)12-19(13)22/h3-6,11-12,18,20,22H,7-10H2,1-2H3/t18-,20+/m0/s1
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7.10n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to rat striatal homogenate dopamine receptor D1


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50280438
PNG
(8-Chloro-5-cycloheptyl-3-methyl-2,3,4,5-tetrahydro...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1CCCCCC1
Show InChI InChI=1S/C18H26ClNO/c1-20-9-8-14-10-17(19)18(21)11-15(14)16(12-20)13-6-4-2-3-5-7-13/h10-11,13,16,21H,2-9,12H2,1H3
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7.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50280431
PNG
(8-Chloro-3-methyl-5-prop-2-ynyl-2,3,4,5-tetrahydro...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(CC#C)C1
Show InChI InChI=1S/C14H16ClNO/c1-3-4-11-9-16(2)6-5-10-7-13(15)14(17)8-12(10)11/h1,7-8,11,17H,4-6,9H2,2H3
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8.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50280430
PNG
(8-Chloro-5-cyclohexyl-3-methyl-2,3,4,5-tetrahydro-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1CCCCC1
Show InChI InChI=1S/C17H24ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h9-10,12,15,20H,2-8,11H2,1H3
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50280437
PNG
(8-Chloro-5-cyclopentyl-3-methyl-2,3,4,5-tetrahydro...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1CCCC1
Show InChI InChI=1S/C16H22ClNO/c1-18-7-6-12-8-15(17)16(19)9-13(12)14(10-18)11-4-2-3-5-11/h8-9,11,14,19H,2-7,10H2,1H3
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50280429
PNG
(7-chloro-3-methyl-2,3,4,5-tetrahydrospiro[3-benzaz...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C2(CCCC2)C1
Show InChI InChI=1S/C15H20ClNO/c1-17-7-4-11-8-13(16)14(18)9-12(11)15(10-17)5-2-3-6-15/h8-9,18H,2-7,10H2,1H3
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50280432
PNG
(8-Chloro-5-ethoxy-3-methyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CCOC1CN(C)CCc2cc(Cl)c(O)cc12
Show InChI InChI=1S/C13H18ClNO2/c1-3-17-13-8-15(2)5-4-9-6-11(14)12(16)7-10(9)13/h6-7,13,16H,3-5,8H2,1-2H3
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50017821
PNG
(12-Methoxy-7-methyl-5,6a,7,8,9,13b-hexahydro-6H-7-...)
Show SMILES COc1cc2CCN(C)[C@H]3CCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C20H23NO2/c1-21-10-9-14-11-19(23-2)18(22)12-16(14)20-15-6-4-3-5-13(15)7-8-17(20)21/h3-6,11-12,17,20,22H,7-10H2,1-2H3/t17-,20+/m0/s1
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24n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to rat striatal homogenate dopamine receptor D1


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50280436
PNG
(8-Chloro-5-ethylsulfanyl-3-methyl-2,3,4,5-tetrahyd...)
Show SMILES CCSC1CN(C)CCc2cc(Cl)c(O)cc12
Show InChI InChI=1S/C13H18ClNOS/c1-3-17-13-8-15(2)5-4-9-6-11(14)12(16)7-10(9)13/h6-7,13,16H,3-5,8H2,1-2H3
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33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50280442
PNG
(8-Chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES CN1CCc2cc(O)c(Cl)cc2CC1
Show InChI InChI=1S/C11H14ClNO/c1-13-4-2-8-6-10(12)11(14)7-9(8)3-5-13/h6-7,14H,2-5H2,1H3
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46n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50017816
PNG
(7-Methyl-5,6a,7,8,9,13b-hexahydro-6H-7-aza-benzo[6...)
Show SMILES CN1CCc2cc(O)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H21NO2/c1-20-9-8-13-10-17(21)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-16(19)20/h2-5,10-11,16,19,21-22H,6-9H2,1H3/t16-,19+/m0/s1
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68n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
In vitro affinity of compound towards dopamine (D1) receptor was determined by measuring their ability to displace [3H]-SCH-23,390 from rat striatal ...


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50017820
PNG
(7-Methyl-5,6a,7,8,9,13b-hexahydro-6H-7-aza-benzo[6...)
Show SMILES CN1CCc2ccc(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H21NO/c1-20-11-10-14-6-8-15(21)12-17(14)19-16-5-3-2-4-13(16)7-9-18(19)20/h2-6,8,12,18-19,21H,7,9-11H2,1H3/t18-,19+/m0/s1
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73n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to rat striatal homogenate dopamine receptor D1


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50280428
PNG
(8-Chloro-3-methyl-5-piperidin-1-yl-2,3,4,5-tetrahy...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)N1CCCCC1
Show InChI InChI=1S/C16H23ClN2O/c1-18-8-5-12-9-14(17)16(20)10-13(12)15(11-18)19-6-3-2-4-7-19/h9-10,15,20H,2-8,11H2,1H3
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50280442
PNG
(8-Chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES CN1CCc2cc(O)c(Cl)cc2CC1
Show InChI InChI=1S/C11H14ClNO/c1-13-4-2-8-6-10(12)11(14)7-9(8)3-5-13/h6-7,14H,2-5H2,1H3
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265n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]-spiperone displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50280439
PNG
(5-Allyl-8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(CC=C)C1
Show InChI InChI=1S/C14H18ClNO/c1-3-4-11-9-16(2)6-5-10-7-13(15)14(17)8-12(10)11/h3,7-8,11,17H,1,4-6,9H2,2H3
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284n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]-spiperone displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50010711
PNG
((6aR,13bS )11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19-/m0/s1
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474n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to rat striatal homogenate dopamine receptor D1


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50010711
PNG
((6aR,13bS )11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19-/m0/s1
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513n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from rat striatal homogenate dopamine receptor D2


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50004823
PNG
((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
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514n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from rat striatal homogenate dopamine receptor D2


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50010715
PNG
((6aS,13bS)11-Chloro-7-methyl-5,6a,7,8,9,13b-hexahy...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H]2[C@H]1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m1/s1
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531n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to rat striatal homogenate dopamine receptor D1


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50280440
PNG
(8-Chloro-5-cyclohex-2-enyl-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1CCCC=C1 |c:20|
Show InChI InChI=1S/C17H22ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h3,5,9-10,12,15,20H,2,4,6-8,11H2,1H3
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581n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]-spiperone displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50280431
PNG
(8-Chloro-3-methyl-5-prop-2-ynyl-2,3,4,5-tetrahydro...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(CC#C)C1
Show InChI InChI=1S/C14H16ClNO/c1-3-4-11-9-16(2)6-5-10-7-13(15)14(17)8-12(10)11/h1,7-8,11,17H,4-6,9H2,2H3
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626n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]-spiperone displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
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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648n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
In vitro affinity of compound towards Dopamine receptor D2 was determined by measuring their ability to displace [3H]-spiperone from rat striatal hom...


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
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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760n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]-spiperone displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50010712
PNG
((6aR,13bR)11-Chloro-7-methyl-5,6a,7,8,9,13b-hexahy...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@H]1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19-/m1/s1
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898n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to rat striatal homogenate dopamine receptor D1


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50280433
PNG
(8-Chloro-5-(3-dimethylamino-propyl)-3-methyl-2,3,4...)
Show SMILES CN(C)CCCC1CN(C)CCc2cc(Cl)c(O)cc12
Show InChI InChI=1S/C16H25ClN2O/c1-18(2)7-4-5-13-11-19(3)8-6-12-9-15(17)16(20)10-14(12)13/h9-10,13,20H,4-8,11H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50280434
PNG
(8-Chloro-3-methyl-5-propyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CCCC1CN(C)CCc2cc(Cl)c(O)cc12
Show InChI InChI=1S/C14H20ClNO/c1-3-4-11-9-16(2)6-5-10-7-13(15)14(17)8-12(10)11/h7-8,11,17H,3-6,9H2,1-2H3
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1.16E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]-spiperone displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50280438
PNG
(8-Chloro-5-cycloheptyl-3-methyl-2,3,4,5-tetrahydro...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1CCCCCC1
Show InChI InChI=1S/C18H26ClNO/c1-20-9-8-14-10-17(19)18(21)11-15(14)16(12-20)13-6-4-2-3-5-7-13/h10-11,13,16,21H,2-9,12H2,1H3
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1.19E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]-spiperone displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017818
PNG
(7,11-Dimethyl-5,6a,7,8,9,13b-hexahydro-6H-7-aza-be...)
Show SMILES CN1CCc2cc(C)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C20H23NO/c1-13-11-15-9-10-21(2)18-8-7-14-5-3-4-6-16(14)20(18)17(15)12-19(13)22/h3-6,11-12,18,20,22H,7-10H2,1-2H3/t18-,20+/m0/s1
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1.51E+3n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from rat striatal homogenate dopamine receptor D2


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50280441
PNG
(8-Chloro-5-cyclopent-1-enyl-3-methyl-2,3,4,5-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1=CCCC1 |t:16|
Show InChI InChI=1S/C16H20ClNO/c1-18-7-6-12-8-15(17)16(19)9-13(12)14(10-18)11-4-2-3-5-11/h4,8-9,14,19H,2-3,5-7,10H2,1H3
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1.54E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]-spiperone displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50280435
PNG
(8-Chloro-5-cyclohex-1-enyl-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1=CCCCC1 |t:16|
Show InChI InChI=1S/C17H22ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h5,9-10,15,20H,2-4,6-8,11H2,1H3
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1.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]-spiperone displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50017817
PNG
(12-Methoxy-7-methyl-5,6a,7,8,9,13b-hexahydro-6H-7-...)
Show SMILES COc1cc2[C@@H]3[C@H](CCc4ccccc34)N(C)CCc2cc1O
Show InChI InChI=1S/C20H23NO2/c1-21-10-9-14-11-18(22)19(23-2)12-16(14)20-15-6-4-3-5-13(15)7-8-17(20)21/h3-6,11-12,17,20,22H,7-10H2,1-2H3/t17-,20+/m0/s1
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1.66E+3n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to rat striatal homogenate dopamine receptor D1


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50017819
PNG
(7-Methyl-5,6a,7,8,9,13b-hexahydro-6H-7-aza-benzo[6...)
Show SMILES CN1CCc2cc(O)c(O)cc2[C@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H21NO2/c1-20-9-8-13-10-17(21)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-16(19)20/h2-5,10-11,16,19,21-22H,6-9H2,1H3/t16-,19-/m0/s1
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1.73E+3n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
In vitro affinity of compound towards dopamine (D1) receptor was determined by measuring their ability to displace [3H]-SCH-23,390 from rat striatal ...


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50280430
PNG
(8-Chloro-5-cyclohexyl-3-methyl-2,3,4,5-tetrahydro-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1CCCCC1
Show InChI InChI=1S/C17H24ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h9-10,12,15,20H,2-8,11H2,1H3
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1.78E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]-spiperone displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50280443
PNG
(8-Chloro-5-cyclohepta-2,4,6-trienyl-3-methyl-2,3,4...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1C=CC=CC=C1 |c:17,19,21|
Show InChI InChI=1S/C18H20ClNO/c1-20-9-8-14-10-17(19)18(21)11-15(14)16(12-20)13-6-4-2-3-5-7-13/h2-7,10-11,13,16,21H,8-9,12H2,1H3
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Article
1.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]-spiperone displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50280437
PNG
(8-Chloro-5-cyclopentyl-3-methyl-2,3,4,5-tetrahydro...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1CCCC1
Show InChI InChI=1S/C16H22ClNO/c1-18-7-6-12-8-15(17)16(19)9-13(12)14(10-18)11-4-2-3-5-11/h8-9,11,14,19H,2-7,10H2,1H3
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2.05E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]-spiperone displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50280429
PNG
(7-chloro-3-methyl-2,3,4,5-tetrahydrospiro[3-benzaz...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C2(CCCC2)C1
Show InChI InChI=1S/C15H20ClNO/c1-17-7-4-11-8-13(16)14(18)9-12(11)15(10-17)5-2-3-6-15/h8-9,18H,2-7,10H2,1H3
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2.25E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]-spiperone displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017816
PNG
(7-Methyl-5,6a,7,8,9,13b-hexahydro-6H-7-aza-benzo[6...)
Show SMILES CN1CCc2cc(O)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H21NO2/c1-20-9-8-13-10-17(21)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-16(19)20/h2-5,10-11,16,19,21-22H,6-9H2,1H3/t16-,19+/m0/s1
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2.41E+3n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
In vitro affinity of compound towards Dopamine receptor D2 was determined by measuring their ability to displace [3H]-spiperone from rat striatal hom...


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017821
PNG
(12-Methoxy-7-methyl-5,6a,7,8,9,13b-hexahydro-6H-7-...)
Show SMILES COc1cc2CCN(C)[C@H]3CCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C20H23NO2/c1-21-10-9-14-11-19(23-2)18(22)12-16(14)20-15-6-4-3-5-13(15)7-8-17(20)21/h3-6,11-12,17,20,22H,7-10H2,1-2H3/t17-,20+/m0/s1
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2.48E+3n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from rat striatal homogenate dopamine receptor D2


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50280436
PNG
(8-Chloro-5-ethylsulfanyl-3-methyl-2,3,4,5-tetrahyd...)
Show SMILES CCSC1CN(C)CCc2cc(Cl)c(O)cc12
Show InChI InChI=1S/C13H18ClNOS/c1-3-17-13-8-15(2)5-4-9-6-11(14)12(16)7-10(9)13/h6-7,13,16H,3-5,8H2,1-2H3
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2.71E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]-spiperone displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50010715
PNG
((6aS,13bS)11-Chloro-7-methyl-5,6a,7,8,9,13b-hexahy...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H]2[C@H]1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m1/s1
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3.05E+3n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from rat striatal homogenate dopamine receptor D2


J Med Chem 32: 1913-21 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ31P4
More data for this
Ligand-Target Pair
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