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Compile Data Set for Download or QSAR

Found 126 hits Enz. Inhib. hit(s) with all data for entry = 50018028   
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


(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 K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190082
PNG
(CHEMBL379942 | N-[2,8-dichloro-11-(4-methyl-pipera...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2C)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-5-3-4-6-20(17)26(34)30-33-23-9-7-18(27)15-21(23)25(32-13-11-31(2)12-14-32)29-22-16-19(28)8-10-24(22)33/h3-10,15-16H,11-14H2,1-2H3,(H,30,34)
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
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 K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50190099
PNG
(8-chloro-11-[4-(3-trifluoromethoxy-benzyl)-piperaz...)
Show SMILES FC(F)(F)Oc1cccc(CN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)c1 |t:18|
Show InChI InChI=1S/C25H22ClF3N4O/c26-18-8-9-22-23(15-18)31-24(20-6-1-2-7-21(20)30-22)33-12-10-32(11-13-33)16-17-4-3-5-19(14-17)34-25(27,28)29/h1-9,14-15,30H,10-13,16H2
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3.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from dopamine D2 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
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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4.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190040
PNG
(CHEMBL215414 | N-[2-chloro-11-(4-methyl-piperazin-...)
Show SMILES COc1cccc(OC)c1C(=O)NN1c2ccccc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:22|
Show InChI InChI=1S/C27H28ClN5O3/c1-31-13-15-32(16-14-31)26-19-17-18(28)11-12-21(19)33(22-8-5-4-7-20(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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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190098
PNG
(CHEMBL214503 | N-[2-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2N(NC(=O)c2ccccc2I)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C25H23ClIN5O/c1-30-12-14-31(15-13-30)24-19-16-17(26)10-11-22(19)32(23-9-5-4-8-21(23)28-24)29-25(33)18-6-2-3-7-20(18)27/h2-11,16H,12-15H2,1H3,(H,29,33)
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7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50190087
PNG
(8-chloro-11-[4-(2,2-difluoro-benzo[1,3]dioxol-4-yl...)
Show SMILES FC1(F)Oc2cccc(CN3CCN(CC3)C3=Nc4cc(Cl)ccc4Nc4ccccc34)c2O1 |t:17|
Show InChI InChI=1S/C25H21ClF2N4O2/c26-17-8-9-20-21(14-17)30-24(18-5-1-2-6-19(18)29-20)32-12-10-31(11-13-32)15-16-4-3-7-22-23(16)34-25(27,28)33-22/h1-9,14,29H,10-13,15H2
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8n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from dopamine D2 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190094
PNG
(CHEMBL212807 | N-[2,8-dichloro-11-(4-methyl-pipera...)
Show SMILES COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:23|
Show InChI InChI=1S/C27H27Cl2N5O3/c1-32-11-13-33(14-12-32)26-19-15-17(28)7-9-21(19)34(22-10-8-18(29)16-20(22)30-26)31-27(35)25-23(36-2)5-4-6-24(25)37-3/h4-10,15-16H,11-14H2,1-3H3,(H,31,35)
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190097
PNG
(CHEMBL212936 | N-[2,8-dichloro-11-(4-methyl-pipera...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2I)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C25H22Cl2IN5O/c1-31-10-12-32(13-11-31)24-19-14-16(26)6-8-22(19)33(23-9-7-17(27)15-21(23)29-24)30-25(34)18-4-2-3-5-20(18)28/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 K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190072
PNG
(CHEMBL379560 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES COc1ccccc1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:21|
Show InChI InChI=1S/C26H26ClN5O2/c1-30-13-15-31(16-14-30)25-19-7-3-5-9-22(19)32(23-12-11-18(27)17-21(23)28-25)29-26(33)20-8-4-6-10-24(20)34-2/h3-12,17H,13-16H2,1-2H3,(H,29,33)
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190075
PNG
(2-bromo-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-d...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Br)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H23BrClN5O/c1-30-12-14-31(15-13-30)24-19-7-3-5-9-22(19)32(23-11-10-17(27)16-21(23)28-24)29-25(33)18-6-2-4-8-20(18)26/h2-11,16H,12-15H2,1H3,(H,29,33)
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16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190073
PNG
(CHEMBL384269 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccc(F)c2F)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H22ClF2N5O/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)18-6-4-7-19(27)23(18)28/h2-10,15H,11-14H2,1H3,(H,30,34)
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16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190063
PNG
(CHEMBL213110 | N-[2,8-dichloro-11-(4-methyl-pipera...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:25|
Show InChI InChI=1S/C28H29Cl2N5O4/c1-33-9-11-34(12-10-33)27-20-15-18(29)5-7-22(20)35(23-8-6-19(30)16-21(23)31-27)32-28(36)17-13-24(37-2)26(39-4)25(14-17)38-3/h5-8,13-16H,9-12H2,1-4H3,(H,32,36)
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16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190042
PNG
(CHEMBL377420 | N-[2-chloro-11-(4-methyl-piperazin-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NN1c2ccccc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:24|
Show InChI InChI=1S/C28H30ClN5O4/c1-32-11-13-33(14-12-32)27-20-17-19(29)9-10-22(20)34(23-8-6-5-7-21(23)30-27)31-28(35)18-15-24(36-2)26(38-4)25(16-18)37-3/h5-10,15-17H,11-14H2,1-4H3,(H,31,35)
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20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190043
PNG
(CHEMBL213193 | N-[2-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2N(NC(=O)c2cc(F)ccc2C(F)(F)F)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C26H22ClF4N5O/c1-34-10-12-35(13-11-34)24-19-14-16(27)6-9-22(19)36(23-5-3-2-4-21(23)32-24)33-25(37)18-15-17(28)7-8-20(18)26(29,30)31/h2-9,14-15H,10-13H2,1H3,(H,33,37)
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22n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190091
PNG
(CHEMBL378341 | N-[2,8-dichloro-11-(4-methyl-pipera...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cc(F)ccc2C(F)(F)F)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C26H21Cl2F4N5O/c1-35-8-10-36(11-9-35)24-19-12-15(27)2-6-22(19)37(23-7-3-16(28)13-21(23)33-24)34-25(38)18-14-17(29)4-5-20(18)26(30,31)32/h2-7,12-14H,8-11H2,1H3,(H,34,38)
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24n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190068
PNG
(2-chloro-N-[8-chloro-11-(4-propyl-piperazin-1-yl)-...)
Show SMILES CCCN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Cl)c2ccccc12 |t:10|
Show InChI InChI=1S/C27H27Cl2N5O/c1-2-13-32-14-16-33(17-15-32)26-21-8-4-6-10-24(21)34(25-12-11-19(28)18-23(25)30-26)31-27(35)20-7-3-5-9-22(20)29/h3-12,18H,2,13-17H2,1H3,(H,31,35)
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26n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50190045
PNG
(8-chloro-11-[4-(2,3-dihydro-benzo[1,4]dioxin-6-ylm...)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(Cc2ccc3OCCOc3c2)CC1 |c:13|
Show InChI InChI=1S/C26H25ClN4O2/c27-19-6-7-22-23(16-19)29-26(20-3-1-2-4-21(20)28-22)31-11-9-30(10-12-31)17-18-5-8-24-25(15-18)33-14-13-32-24/h1-8,15-16,28H,9-14,17H2
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29n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from dopamine D2 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190079
PNG
(CHEMBL379875 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:25|
Show InChI InChI=1S/C28H30ClN5O4/c1-32-11-13-33(14-12-32)27-20-7-5-6-8-22(20)34(23-10-9-19(29)17-21(23)30-27)31-28(35)18-15-24(36-2)26(38-4)25(16-18)37-3/h5-10,15-17H,11-14H2,1-4H3,(H,31,35)
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31n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190086
PNG
(CHEMBL212438 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cc(F)c(F)c(F)c2F)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H20ClF4N5O/c1-33-8-10-34(11-9-33)24-15-4-2-3-5-19(15)35(20-7-6-14(26)12-18(20)31-24)32-25(36)16-13-17(27)22(29)23(30)21(16)28/h2-7,12-13H,8-11H2,1H3,(H,32,36)
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32n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50190097
PNG
(CHEMBL212936 | N-[2,8-dichloro-11-(4-methyl-pipera...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2I)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C25H22Cl2IN5O/c1-31-10-12-32(13-11-31)24-19-14-16(26)6-8-22(19)33(23-9-7-17(27)15-21(23)29-24)30-25(34)18-4-2-3-5-20(18)28/h2-9,14-15H,10-13H2,1H3,(H,30,34)
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36n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from dopamine D2 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190038
PNG
(CHEMBL384069 | N-[2,8-dichloro-11-(4-methyl-pipera...)
Show SMILES COc1cccc(c1)C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:21|
Show InChI InChI=1S/C26H25Cl2N5O2/c1-31-10-12-32(13-11-31)25-21-15-18(27)6-8-23(21)33(24-9-7-19(28)16-22(24)29-25)30-26(34)17-4-3-5-20(14-17)35-2/h3-9,14-16H,10-13H2,1-2H3,(H,30,34)
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44n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
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 K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190071
PNG
(3-cyano-N-[2,8-dichloro-11-(4-methyl-piperazin-1-y...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccc(c2)C#N)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C26H22Cl2N6O/c1-32-9-11-33(12-10-32)25-21-14-19(27)5-7-23(21)34(24-8-6-20(28)15-22(24)30-25)31-26(35)18-4-2-3-17(13-18)16-29/h2-8,13-15H,9-12H2,1H3,(H,31,35)
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47n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190048
PNG
(CHEMBL385295 | N-[2-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2N(NC(=O)c2ccccc2C)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C26H26ClN5O/c1-18-7-3-4-8-20(18)26(33)29-32-23-12-11-19(27)17-21(23)25(31-15-13-30(2)14-16-31)28-22-9-5-6-10-24(22)32/h3-12,17H,13-16H2,1-2H3,(H,29,33)
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48n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190044
PNG
(CHEMBL437917 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccc(F)cc2C(F)(F)F)c2ccccc12 |t:8|
Show InChI InChI=1S/C26H22ClF4N5O/c1-34-10-12-35(13-11-34)24-19-4-2-3-5-22(19)36(23-9-6-16(27)14-21(23)32-24)33-25(37)18-8-7-17(28)15-20(18)26(29,30)31/h2-9,14-15H,10-13H2,1H3,(H,33,37)
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49n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190051
PNG
(4-cyano-N-[2,8-dichloro-11-(4-methyl-piperazin-1-y...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccc(cc2)C#N)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C26H22Cl2N6O/c1-32-10-12-33(13-11-32)25-21-14-19(27)6-8-23(21)34(24-9-7-20(28)15-22(24)30-25)31-26(35)18-4-2-17(16-29)3-5-18/h2-9,14-15H,10-13H2,1H3,(H,31,35)
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51n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190053
PNG
(2-chloro-N-[8-chloro-11-(4-ethyl-piperazin-1-yl)-d...)
Show SMILES CCN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Cl)c2ccccc12 |t:9|
Show InChI InChI=1S/C26H25Cl2N5O/c1-2-31-13-15-32(16-14-31)25-20-8-4-6-10-23(20)33(24-12-11-18(27)17-22(24)29-25)30-26(34)19-7-3-5-9-21(19)28/h3-12,17H,2,13-16H2,1H3,(H,30,34)
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54n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190054
PNG
(CHEMBL213668 | benzo[1,3]dioxole-5-carboxylic acid...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccc3OCOc3c2)c2ccccc12 |t:8|
Show InChI InChI=1S/C26H24ClN5O3/c1-30-10-12-31(13-11-30)25-19-4-2-3-5-21(19)32(22-8-7-18(27)15-20(22)28-25)29-26(33)17-6-9-23-24(14-17)35-16-34-23/h2-9,14-15H,10-13,16H2,1H3,(H,29,33)
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56n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190055
PNG
(CHEMBL211910 | [8-chloro-11-(4-methyl-piperazin-1-...)
Show SMILES COc1ccccc1CNN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:20|
Show InChI InChI=1S/C26H28ClN5O/c1-30-13-15-31(16-14-30)26-21-8-4-5-9-23(21)32(24-12-11-20(27)17-22(24)29-26)28-18-19-7-3-6-10-25(19)33-2/h3-12,17,28H,13-16,18H2,1-2H3
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60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190046
PNG
(CHEMBL212905 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccc(c2)C#N)c2ccccc12 |t:8|
Show InChI InChI=1S/C26H23ClN6O/c1-31-11-13-32(14-12-31)25-21-7-2-3-8-23(21)33(24-10-9-20(27)16-22(24)29-25)30-26(34)19-6-4-5-18(15-19)17-28/h2-10,15-16H,11-14H2,1H3,(H,30,34)
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62n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50190076
PNG
(8-chloro-11-(4-methyl-piperazin-1-yl)-5-(toluene-2...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(c2ccccc12)S(=O)(=O)c1ccccc1C |t:8|
Show InChI InChI=1S/C25H25ClN4O2S/c1-18-7-3-6-10-24(18)33(31,32)30-22-9-5-4-8-20(22)25(29-15-13-28(2)14-16-29)27-21-17-19(26)11-12-23(21)30/h3-12,17H,13-16H2,1-2H3
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63n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from dopamine D2 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190074
PNG
(CHEMBL213201 | N-[2-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2N(NC(=O)c2ccc(cc2)C#N)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C26H23ClN6O/c1-31-12-14-32(15-13-31)25-21-16-20(27)10-11-23(21)33(24-5-3-2-4-22(24)29-25)30-26(34)19-8-6-18(17-28)7-9-19/h2-11,16H,12-15H2,1H3,(H,30,34)
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64n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190050
PNG
(8-chloro-11-(4-methyl-piperazin-1-yl)-5-(toluene-4...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |t:8|
Show InChI InChI=1S/C25H25ClN4O2S/c1-18-7-10-20(11-8-18)33(31,32)30-23-6-4-3-5-21(23)25(29-15-13-28(2)14-16-29)27-22-17-19(26)9-12-24(22)30/h3-12,17H,13-16H2,1-2H3
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65n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50190067
PNG
(8-chloro-11-[4-(2,4-dimethyl-benzyl)-piperazin-1-y...)
Show SMILES Cc1ccc(CN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)c(C)c1 |t:13|
Show InChI InChI=1S/C26H27ClN4/c1-18-7-8-20(19(2)15-18)17-30-11-13-31(14-12-30)26-22-5-3-4-6-23(22)28-24-10-9-21(27)16-25(24)29-26/h3-10,15-16,28H,11-14,17H2,1-2H3
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65n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from dopamine D2 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190085
PNG
(CHEMBL212334 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccc(cc2)C#N)c2ccccc12 |t:8|
Show InChI InChI=1S/C26H23ClN6O/c1-31-12-14-32(15-13-31)25-21-4-2-3-5-23(21)33(24-11-10-20(27)16-22(24)29-25)30-26(34)19-8-6-18(17-28)7-9-19/h2-11,16H,12-15H2,1H3,(H,30,34)
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68n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50190091
PNG
(CHEMBL378341 | N-[2,8-dichloro-11-(4-methyl-pipera...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cc(F)ccc2C(F)(F)F)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C26H21Cl2F4N5O/c1-35-8-10-36(11-9-35)24-19-12-15(27)2-6-22(19)37(23-7-3-16(28)13-21(23)33-24)34-25(38)18-14-17(29)4-5-20(18)26(30,31)32/h2-7,12-14H,8-11H2,1H3,(H,34,38)
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69n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from dopamine D2 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190076
PNG
(8-chloro-11-(4-methyl-piperazin-1-yl)-5-(toluene-2...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(c2ccccc12)S(=O)(=O)c1ccccc1C |t:8|
Show InChI InChI=1S/C25H25ClN4O2S/c1-18-7-3-6-10-24(18)33(31,32)30-22-9-5-4-8-20(22)25(29-15-13-28(2)14-16-29)27-21-17-19(26)11-12-23(21)30/h3-12,17H,13-16H2,1-2H3
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71n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50190064
PNG
(11-(4-benzo[1,3]dioxol-4-ylmethyl-piperazin-1-yl)-...)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(Cc2cccc3OCOc23)CC1 |c:13|
Show InChI InChI=1S/C25H23ClN4O2/c26-18-8-9-21-22(14-18)28-25(19-5-1-2-6-20(19)27-21)30-12-10-29(11-13-30)15-17-4-3-7-23-24(17)32-16-31-23/h1-9,14,27H,10-13,15-16H2
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80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from dopamine D2 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190070
PNG
(2-chloro-N-[8-chloro-11-(4-isobutyl-piperazin-1-yl...)
Show SMILES CC(C)CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Cl)c2ccccc12 |t:11|
Show InChI InChI=1S/C28H29Cl2N5O/c1-19(2)18-33-13-15-34(16-14-33)27-22-8-4-6-10-25(22)35(26-12-11-20(29)17-24(26)31-27)32-28(36)21-7-3-5-9-23(21)30/h3-12,17,19H,13-16,18H2,1-2H3,(H,32,36)
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81n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190047
PNG
(CHEMBL213472 | benzo[1,3]dioxole-5-carboxylic acid...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2N(NC(=O)c2ccc3OCOc3c2)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C26H24ClN5O3/c1-30-10-12-31(13-11-30)25-19-15-18(27)7-8-21(19)32(22-5-3-2-4-20(22)28-25)29-26(33)17-6-9-23-24(14-17)35-16-34-23/h2-9,14-15H,10-13,16H2,1H3,(H,29,33)
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83n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190080
PNG
(CHEMBL215997 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccnc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C24H23ClN6O/c1-29-11-13-30(14-12-29)23-19-6-2-3-7-21(19)31(22-9-8-18(25)15-20(22)27-23)28-24(32)17-5-4-10-26-16-17/h2-10,15-16H,11-14H2,1H3,(H,28,32)
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85n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190056
PNG
(CHEMBL213239 | N-[2-chloro-11-(4-methyl-piperazin-...)
Show SMILES COc1cccc(c1)C(=O)NN1c2ccccc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:20|
Show InChI InChI=1S/C26H26ClN5O2/c1-30-12-14-31(15-13-30)25-21-17-19(27)10-11-23(21)32(24-9-4-3-8-22(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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86n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190061
PNG
(CHEMBL384248 | N-[8-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccncc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C24H23ClN6O/c1-29-12-14-30(15-13-29)23-19-4-2-3-5-21(19)31(22-7-6-18(25)16-20(22)27-23)28-24(32)17-8-10-26-11-9-17/h2-11,16H,12-15H2,1H3,(H,28,32)
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86n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50190094
PNG
(CHEMBL212807 | N-[2,8-dichloro-11-(4-methyl-pipera...)
Show SMILES COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:23|
Show InChI InChI=1S/C27H27Cl2N5O3/c1-32-11-13-33(14-12-32)26-19-15-17(28)7-9-21(19)34(22-10-8-18(29)16-20(22)30-26)31-27(35)25-23(36-2)5-4-6-24(25)37-3/h4-10,15-16H,11-14H2,1-3H3,(H,31,35)
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97n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from dopamine D2 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190058
PNG
(CHEMBL213466 | N-[2,8-dichloro-11-(4-methyl-pipera...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cc(F)c(F)c(F)c2F)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C25H19Cl2F4N5O/c1-34-6-8-35(9-7-34)24-15-10-13(26)2-4-19(15)36(20-5-3-14(27)11-18(20)32-24)33-25(37)16-12-17(28)22(30)23(31)21(16)29/h2-5,10-12H,6-9H2,1H3,(H,33,37)
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98n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190092
PNG
(CHEMBL213238 | N-[2-chloro-11-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2N(NC(=O)c2cccc(c2)C#N)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C26H23ClN6O/c1-31-11-13-32(14-12-31)25-21-16-20(27)9-10-23(21)33(24-8-3-2-7-22(24)29-25)30-26(34)19-6-4-5-18(15-19)17-28/h2-10,15-16H,11-14H2,1H3,(H,30,34)
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99n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190088
PNG
(CHEMBL212700 | benzo[1,3]dioxole-5-carboxylic acid...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccc3OCOc3c2)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C26H23Cl2N5O3/c1-31-8-10-32(11-9-31)25-19-13-17(27)3-5-21(19)33(22-6-4-18(28)14-20(22)29-25)30-26(34)16-2-7-23-24(12-16)36-15-35-23/h2-7,12-14H,8-11,15H2,1H3,(H,30,34)
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130n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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132n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4548-53 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.06.034
BindingDB Entry DOI: 10.7270/Q2MG7P4R
More data for this
Ligand-Target Pair
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