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Compile Data Set for Download or QSAR

Found 142 hits Enz. Inhib. hit(s) with all data for entry = 50018033   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50190203
PNG
(2-amino-6-chloro-N-[8-chloro-11-(4-methyl-piperazi...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2Cl)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H24Cl2N6O/c1-31-11-13-32(14-12-31)24-17-5-2-3-8-21(17)33(22-10-9-16(26)15-20(22)29-24)30-25(34)23-18(27)6-4-7-19(23)28/h2-10,15H,11-14,28H2,1H3,(H,30,34)
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0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at 5HT2A receptor


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50190049
PNG
(2-chloro-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Cl)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H23Cl2N5O/c1-30-12-14-31(15-13-30)24-19-7-3-5-9-22(19)32(23-11-10-17(26)16-21(23)28-24)29-25(33)18-6-2-4-8-20(18)27/h2-11,16H,12-15H2,1H3,(H,29,33)
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1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at 5HT2A receptor


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50190193
PNG
(CHEMBL213834 | naphthalene-1-carboxylic acid [8-ch...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccc3ccccc23)c2ccccc12 |t:8|
Show InChI InChI=1S/C29H26ClN5O/c1-33-15-17-34(18-16-33)28-24-10-4-5-12-26(24)35(27-14-13-21(30)19-25(27)31-28)32-29(36)23-11-6-8-20-7-2-3-9-22(20)23/h2-14,19H,15-18H2,1H3,(H,32,36)
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1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at 5HT2A receptor


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50190186
PNG
(CHEMBL213492 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(F)cccc2C(F)(F)F)c2ccccc12 |t:8|
Show InChI InChI=1S/C26H22ClF4N5O/c1-34-11-13-35(14-12-34)24-17-5-2-3-8-21(17)36(22-10-9-16(27)15-20(22)32-24)33-25(37)23-18(26(29,30)31)6-4-7-19(23)28/h2-10,15H,11-14H2,1H3,(H,33,37)
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1.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at 5HT2A receptor


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190059
PNG
(CHEMBL425069 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:23|
Show InChI InChI=1S/C27H28ClN5O3/c1-31-13-15-32(16-14-31)26-19-7-4-5-8-21(19)33(22-12-11-18(28)17-20(22)29-26)30-27(34)25-23(35-2)9-6-10-24(25)36-3/h4-12,17H,13-16H2,1-3H3,(H,30,34)
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1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50190062
PNG
(CHEMBL213336 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(C)cccc2C)c2ccccc12 |t:8|
Show InChI InChI=1S/C27H28ClN5O/c1-18-7-6-8-19(2)25(18)27(34)30-33-23-10-5-4-9-21(23)26(32-15-13-31(3)14-16-32)29-22-17-20(28)11-12-24(22)33/h4-12,17H,13-16H2,1-3H3,(H,30,34)
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2.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at 5HT2A receptor


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190186
PNG
(CHEMBL213492 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(F)cccc2C(F)(F)F)c2ccccc12 |t:8|
Show InChI InChI=1S/C26H22ClF4N5O/c1-34-11-13-35(14-12-34)24-17-5-2-3-8-21(17)36(22-10-9-16(27)15-20(22)32-24)33-25(37)23-18(26(29,30)31)6-4-7-19(23)28/h2-10,15H,11-14H2,1H3,(H,33,37)
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2.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190203
PNG
(2-amino-6-chloro-N-[8-chloro-11-(4-methyl-piperazi...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2Cl)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H24Cl2N6O/c1-31-11-13-32(14-12-31)24-17-5-2-3-8-21(17)33(22-10-9-16(26)15-20(22)29-24)30-25(34)23-18(27)6-4-7-19(23)28/h2-10,15H,11-14,28H2,1H3,(H,30,34)
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2.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50190208
PNG
(2-amino-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-d...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(C)cccc2N)c2ccccc12 |t:8|
Show InChI InChI=1S/C26H27ClN6O/c1-17-6-5-8-20(28)24(17)26(34)30-33-22-9-4-3-7-19(22)25(32-14-12-31(2)13-15-32)29-21-16-18(27)10-11-23(21)33/h3-11,16H,12-15,28H2,1-2H3,(H,30,34)
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2.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at 5HT2A receptor


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190062
PNG
(CHEMBL213336 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(C)cccc2C)c2ccccc12 |t:8|
Show InChI InChI=1S/C27H28ClN5O/c1-18-7-6-8-19(2)25(18)27(34)30-33-23-10-5-4-9-21(23)26(32-15-13-31(3)14-16-32)29-22-17-20(28)11-12-24(22)33/h4-12,17H,13-16H2,1-3H3,(H,30,34)
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190216
PNG
(CHEMBL213793 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccc(C)c2)c2ccccc12 |t:8|
Show InChI InChI=1S/C26H26ClN5O/c1-18-6-5-7-19(16-18)26(33)29-32-23-9-4-3-8-21(23)25(31-14-12-30(2)13-15-31)28-22-17-20(27)10-11-24(22)32/h3-11,16-17H,12-15H2,1-2H3,(H,29,33)
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190208
PNG
(2-amino-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-d...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(C)cccc2N)c2ccccc12 |t:8|
Show InChI InChI=1S/C26H27ClN6O/c1-17-6-5-8-20(28)24(17)26(34)30-33-22-9-4-3-7-19(22)25(32-14-12-31(2)13-15-32)29-21-16-18(27)10-11-23(21)33/h3-11,16H,12-15,28H2,1-2H3,(H,30,34)
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3.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190187
PNG
(2,6-dichloro-N-[8-chloro-11-(4-methyl-piperazin-1-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(Cl)cccc2Cl)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H22Cl3N5O/c1-31-11-13-32(14-12-31)24-17-5-2-3-8-21(17)33(22-10-9-16(26)15-20(22)29-24)30-25(34)23-18(27)6-4-7-19(23)28/h2-10,15H,11-14H2,1H3,(H,30,34)
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3.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190202
PNG
(CHEMBL377584 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccc(I)c2)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H23ClIN5O/c1-30-11-13-31(14-12-30)24-20-7-2-3-8-22(20)32(23-10-9-18(26)16-21(23)28-24)29-25(33)17-5-4-6-19(27)15-17/h2-10,15-16H,11-14H2,1H3,(H,29,33)
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3.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190193
PNG
(CHEMBL213834 | naphthalene-1-carboxylic acid [8-ch...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccc3ccccc23)c2ccccc12 |t:8|
Show InChI InChI=1S/C29H26ClN5O/c1-33-15-17-34(18-16-33)28-24-10-4-5-12-26(24)35(27-14-13-21(30)19-25(27)31-28)32-29(36)23-11-6-8-20-7-2-3-9-22(20)23/h2-14,19H,15-18H2,1H3,(H,32,36)
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3.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190049
PNG
(2-chloro-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Cl)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H23Cl2N5O/c1-30-12-14-31(15-13-30)24-19-7-3-5-9-22(19)32(23-11-10-17(26)16-21(23)28-24)29-25(33)18-6-2-4-8-20(18)27/h2-11,16H,12-15H2,1H3,(H,29,33)
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4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190205
PNG
(2,4,6-trichloro-N-[8-chloro-11-(4-methyl-piperazin...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(Cl)cc(Cl)cc2Cl)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H21Cl4N5O/c1-32-8-10-33(11-9-32)24-17-4-2-3-5-21(17)34(22-7-6-15(26)14-20(22)30-24)31-25(35)23-18(28)12-16(27)13-19(23)29/h2-7,12-14H,8-11H2,1H3,(H,31,35)
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4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190214
PNG
(3-chloro-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccc(Cl)c2)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H23Cl2N5O/c1-30-11-13-31(14-12-30)24-20-7-2-3-8-22(20)32(23-10-9-19(27)16-21(23)28-24)29-25(33)17-5-4-6-18(26)15-17/h2-10,15-16H,11-14H2,1H3,(H,29,33)
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4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50190186
PNG
(CHEMBL213492 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(F)cccc2C(F)(F)F)c2ccccc12 |t:8|
Show InChI InChI=1S/C26H22ClF4N5O/c1-34-11-13-35(14-12-34)24-17-5-2-3-8-21(17)36(22-10-9-16(27)15-20(22)32-24)33-25(37)23-18(26(29,30)31)6-4-7-19(23)28/h2-10,15H,11-14H2,1H3,(H,33,37)
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7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D5 receptor


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190192
PNG
(2-amino-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-d...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2C(F)(F)F)c2ccccc12 |t:8|
Show InChI InChI=1S/C26H24ClF3N6O/c1-34-11-13-35(14-12-34)24-17-5-2-3-8-21(17)36(22-10-9-16(27)15-20(22)32-24)33-25(37)23-18(26(28,29)30)6-4-7-19(23)31/h2-10,15H,11-14,31H2,1H3,(H,33,37)
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7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190204
PNG
(CHEMBL213882 | naphthalene-2-carboxylic acid [8-ch...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccc3ccccc3c2)c2ccccc12 |t:8|
Show InChI InChI=1S/C29H26ClN5O/c1-33-14-16-34(17-15-33)28-24-8-4-5-9-26(24)35(27-13-12-23(30)19-25(27)31-28)32-29(36)22-11-10-20-6-2-3-7-21(20)18-22/h2-13,18-19H,14-17H2,1H3,(H,32,36)
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7.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190230
PNG
(CHEMBL213795 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccc(C)cc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C26H26ClN5O/c1-18-7-9-19(10-8-18)26(33)29-32-23-6-4-3-5-21(23)25(31-15-13-30(2)14-16-31)28-22-17-20(27)11-12-24(22)32/h3-12,17H,13-16H2,1-2H3,(H,29,33)
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7.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190201
PNG
(CHEMBL212383 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2N2CCCCC2)c2ccccc12 |t:8|
Show InChI InChI=1S/C30H33ClN6O/c1-34-17-19-36(20-18-34)29-23-9-3-6-12-27(23)37(28-14-13-22(31)21-25(28)32-29)33-30(38)24-10-4-5-11-26(24)35-15-7-2-8-16-35/h3-6,9-14,21H,2,7-8,15-20H2,1H3,(H,33,38)
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7.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190232
PNG
(CHEMBL212896 | thiophene-3-carboxylic acid [8-chlo...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccsc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C23H22ClN5OS/c1-27-9-11-28(12-10-27)22-18-4-2-3-5-20(18)29(26-23(30)16-8-13-31-15-16)21-7-6-17(24)14-19(21)25-22/h2-8,13-15H,9-12H2,1H3,(H,26,30)
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9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190234
PNG
(4-ethoxy-thiophene-2-carboxylic acid [8-chloro-11-...)
Show SMILES CCOc1csc(c1)C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:21|
Show InChI InChI=1S/C25H26ClN5O2S/c1-3-33-18-15-23(34-16-18)25(32)28-31-21-7-5-4-6-19(21)24(30-12-10-29(2)11-13-30)27-20-14-17(26)8-9-22(20)31/h4-9,14-16H,3,10-13H2,1-2H3,(H,28,32)
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190219
PNG
(CHEMBL213443 | quinoline-2-carboxylic acid [8-chlo...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccc3ccccc3n2)c2ccccc12 |t:8|
Show InChI InChI=1S/C28H25ClN6O/c1-33-14-16-34(17-15-33)27-21-7-3-5-9-25(21)35(26-13-11-20(29)18-24(26)31-27)32-28(36)23-12-10-19-6-2-4-8-22(19)30-23/h2-13,18H,14-17H2,1H3,(H,32,36)
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190231
PNG
(2-chloro-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccnc2Cl)c2ccccc12 |t:8|
Show InChI InChI=1S/C24H22Cl2N6O/c1-30-11-13-31(14-12-30)23-17-5-2-3-7-20(17)32(21-9-8-16(25)15-19(21)28-23)29-24(33)18-6-4-10-27-22(18)26/h2-10,15H,11-14H2,1H3,(H,29,33)
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190206
PNG
(CHEMBL213477 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2F)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H23ClFN5O/c1-30-12-14-31(15-13-30)24-19-7-3-5-9-22(19)32(23-11-10-17(26)16-21(23)28-24)29-25(33)18-6-2-4-8-20(18)27/h2-11,16H,12-15H2,1H3,(H,29,33)
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12n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190229
PNG
(3,4-dichloro-N-[8-chloro-11-(4-methyl-piperazin-1-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H22Cl3N5O/c1-31-10-12-32(13-11-31)24-18-4-2-3-5-22(18)33(23-9-7-17(26)15-21(23)29-24)30-25(34)16-6-8-19(27)20(28)14-16/h2-9,14-15H,10-13H2,1H3,(H,30,34)
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12n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190199
PNG
(CHEMBL214016 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES COc1cccc(c1)C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:21|
Show InChI InChI=1S/C26H26ClN5O2/c1-30-12-14-31(15-13-30)25-21-8-3-4-9-23(21)32(24-11-10-19(27)17-22(24)28-25)29-26(33)18-6-5-7-20(16-18)34-2/h3-11,16-17H,12-15H2,1-2H3,(H,29,33)
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50190059
PNG
(CHEMBL425069 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:23|
Show InChI InChI=1S/C27H28ClN5O3/c1-31-13-15-32(16-14-31)26-19-7-4-5-8-21(19)33(22-12-11-18(28)17-20(22)29-26)30-27(34)25-23(35-2)9-6-10-24(25)36-3/h4-12,17H,13-16H2,1-3H3,(H,30,34)
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13.8n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at 5HT2A receptor


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190207
PNG
(4-bromo-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-d...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccc(Br)cc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H23BrClN5O/c1-30-12-14-31(15-13-30)24-20-4-2-3-5-22(20)32(23-11-10-19(27)16-21(23)28-24)29-25(33)17-6-8-18(26)9-7-17/h2-11,16H,12-15H2,1H3,(H,29,33)
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190226
PNG
(CHEMBL379874 | thiophene-2-carboxylic acid [8-chlo...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccs2)c2ccccc12 |t:8|
Show InChI InChI=1S/C23H22ClN5OS/c1-27-10-12-28(13-11-27)22-17-5-2-3-6-19(17)29(26-23(30)21-7-4-14-31-21)20-9-8-16(24)15-18(20)25-22/h2-9,14-15H,10-13H2,1H3,(H,26,30)
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190189
PNG
(CHEMBL426868 | furan-2-carboxylic acid [8-chloro-1...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccco2)c2ccccc12 |t:8|
Show InChI InChI=1S/C23H22ClN5O2/c1-27-10-12-28(13-11-27)22-17-5-2-3-6-19(17)29(26-23(30)21-7-4-14-31-21)20-9-8-16(24)15-18(20)25-22/h2-9,14-15H,10-13H2,1H3,(H,26,30)
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15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190235
PNG
(CHEMBL213372 | isoxazole-3-carboxylic acid [8-chlo...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccon2)c2ccccc12 |t:8|
Show InChI InChI=1S/C22H21ClN6O2/c1-27-9-11-28(12-10-27)21-16-4-2-3-5-19(16)29(25-22(30)17-8-13-31-26-17)20-7-6-15(23)14-18(20)24-21/h2-8,13-14H,9-12H2,1H3,(H,25,30)
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22n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190209
PNG
(CHEMBL213278 | isoquinoline-1-carboxylic acid [8-c...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2nccc3ccccc23)c2ccccc12 |t:8|
Show InChI InChI=1S/C28H25ClN6O/c1-33-14-16-34(17-15-33)27-22-8-4-5-9-24(22)35(25-11-10-20(29)18-23(25)31-27)32-28(36)26-21-7-3-2-6-19(21)12-13-30-26/h2-13,18H,14-17H2,1H3,(H,32,36)
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23n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190195
PNG
(3,5-dichloro-N-[8-chloro-11-(4-methyl-piperazin-1-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cc(Cl)cc(Cl)c2)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H22Cl3N5O/c1-31-8-10-32(11-9-31)24-20-4-2-3-5-22(20)33(23-7-6-17(26)15-21(23)29-24)30-25(34)16-12-18(27)14-19(28)13-16/h2-7,12-15H,8-11H2,1H3,(H,30,34)
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24n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190190
PNG
(2-propyl-pentanoic acid [8-chloro-11-(4-methyl-pip...)
Show SMILES CCCC(CCC)C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:19|
Show InChI InChI=1S/C26H34ClN5O/c1-4-8-19(9-5-2)26(33)29-32-23-11-7-6-10-21(23)25(31-16-14-30(3)15-17-31)28-22-18-20(27)12-13-24(22)32/h6-7,10-13,18-19H,4-5,8-9,14-17H2,1-3H3,(H,29,33)
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25.6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190227
PNG
(CHEMBL213444 | quinoline-3-carboxylic acid [8-chlo...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cnc3ccccc3c2)c2ccccc12 |t:8|
Show InChI InChI=1S/C28H25ClN6O/c1-33-12-14-34(15-13-33)27-22-7-3-5-9-25(22)35(26-11-10-21(29)17-24(26)31-27)32-28(36)20-16-19-6-2-4-8-23(19)30-18-20/h2-11,16-18H,12-15H2,1H3,(H,32,36)
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28n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190211
PNG
(3-ethoxy-benzo[b]thiophene-2-carboxylic acid [8-ch...)
Show SMILES CCOc1c(sc2ccccc12)C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:26|
Show InChI InChI=1S/C29H28ClN5O2S/c1-3-37-26-21-9-5-7-11-25(21)38-27(26)29(36)32-35-23-10-6-4-8-20(23)28(34-16-14-33(2)15-17-34)31-22-18-19(30)12-13-24(22)35/h4-13,18H,3,14-17H2,1-2H3,(H,32,36)
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28n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190200
PNG
(1-phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxyli...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cnn(c2C(F)(F)F)-c2ccccc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C29H25ClF3N7O/c1-37-13-15-38(16-14-37)27-21-9-5-6-10-24(21)40(25-12-11-19(30)17-23(25)35-27)36-28(41)22-18-34-39(26(22)29(31,32)33)20-7-3-2-4-8-20/h2-12,17-18H,13-16H2,1H3,(H,36,41)
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30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50190062
PNG
(CHEMBL213336 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(C)cccc2C)c2ccccc12 |t:8|
Show InChI InChI=1S/C27H28ClN5O/c1-18-7-6-8-19(2)25(18)27(34)30-33-23-10-5-4-9-21(23)26(32-15-13-31(3)14-16-32)29-22-17-20(28)11-12-24(22)33/h4-12,17H,13-16H2,1-3H3,(H,30,34)
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31n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D5 receptor


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190221
PNG
(4-chloro-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccc(Cl)cc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H23Cl2N5O/c1-30-12-14-31(15-13-30)24-20-4-2-3-5-22(20)32(23-11-10-19(27)16-21(23)28-24)29-25(33)17-6-8-18(26)9-7-17/h2-11,16H,12-15H2,1H3,(H,29,33)
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35n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50190059
PNG
(CHEMBL425069 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:23|
Show InChI InChI=1S/C27H28ClN5O3/c1-31-13-15-32(16-14-31)26-19-7-4-5-8-21(19)33(22-12-11-18(28)17-20(22)29-26)30-27(34)25-23(35-2)9-6-10-24(25)36-3/h4-12,17H,13-16H2,1-3H3,(H,30,34)
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38n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D5 receptor


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190191
PNG
(3-phenyl-thiophene-2-carboxylic acid [8-chloro-11-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2sccc2-c2ccccc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C29H26ClN5OS/c1-33-14-16-34(17-15-33)28-23-9-5-6-10-25(23)35(26-12-11-21(30)19-24(26)31-28)32-29(36)27-22(13-18-37-27)20-7-3-2-4-8-20/h2-13,18-19H,14-17H2,1H3,(H,32,36)
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39n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190213
PNG
(CHEMBL213388 | cyclohexanecarboxylic acid [8-chlor...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)C2CCCCC2)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H30ClN5O/c1-29-13-15-30(16-14-29)24-20-9-5-6-10-22(20)31(23-12-11-19(26)17-21(23)27-24)28-25(32)18-7-3-2-4-8-18/h5-6,9-12,17-18H,2-4,7-8,13-16H2,1H3,(H,28,32)
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42n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190057
PNG
(CHEMBL215885 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES COc1ccc(cc1)C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:21|
Show InChI InChI=1S/C26H26ClN5O2/c1-30-13-15-31(16-14-30)25-21-5-3-4-6-23(21)32(24-12-9-19(27)17-22(24)28-25)29-26(33)18-7-10-20(34-2)11-8-18/h3-12,17H,13-16H2,1-2H3,(H,29,33)
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47n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190215
PNG
(CHEMBL213083 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccc(F)c2)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H23ClFN5O/c1-30-11-13-31(14-12-30)24-20-7-2-3-8-22(20)32(23-10-9-18(26)16-21(23)28-24)29-25(33)17-5-4-6-19(27)15-17/h2-10,15-16H,11-14H2,1H3,(H,29,33)
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47n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190233
PNG
(CHEMBL214407 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Oc2ccccc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C31H28ClN5O2/c1-35-17-19-36(20-18-35)30-24-11-5-7-13-27(24)37(28-16-15-22(32)21-26(28)33-30)34-31(38)25-12-6-8-14-29(25)39-23-9-3-2-4-10-23/h2-16,21H,17-20H2,1H3,(H,34,38)
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51n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50190203
PNG
(2-amino-6-chloro-N-[8-chloro-11-(4-methyl-piperazi...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2Cl)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H24Cl2N6O/c1-31-11-13-32(14-12-31)24-17-5-2-3-8-21(17)33(22-10-9-16(26)15-20(22)29-24)30-25(34)23-18(27)6-4-7-19(23)28/h2-10,15H,11-14,28H2,1H3,(H,30,34)
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53n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D5 receptor


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
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