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Compile Data Set for Download or QSAR

Found 390 hits with Last Name = 'smith-torhan' and Initial = 'a'   
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 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))
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
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
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259098
PNG
(CHEMBL3084526 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](Cc3ccc(F)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:2.3|
Show InChI InChI=1S/C28H27Cl2FN2O/c29-24-7-3-1-5-22(24)26(23-6-2-4-8-25(23)30)33-20-13-14-21(33)17-28(16-20,27(32)34)15-18-9-11-19(31)12-10-18/h1-12,20-21,26H,13-17H2,(H2,32,34)/t20-,21-/m1/s1
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259549
PNG
(CHEMBL3084555 | endo-2-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](CC(N)=O)(Cc3ccc(F)cc3)C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:21:3.2|
Show InChI InChI=1S/C29H29Cl2FN2O/c30-25-7-3-1-5-23(25)28(24-6-2-4-8-26(24)31)34-21-13-14-22(34)17-29(16-21,18-27(33)35)15-19-9-11-20(32)12-10-19/h1-12,21-22,28H,13-18H2,(H2,33,35)/t21-,22-/m1/s1
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259579
PNG
(CHEMBL3084559 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cccnc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
Show InChI InChI=1S/C26H25Cl2N3O/c27-22-9-3-1-7-20(22)24(21-8-2-4-10-23(21)28)31-18-11-12-19(31)15-26(14-18,25(29)32)17-6-5-13-30-16-17/h1-10,13,16,18-19,24H,11-12,14-15H2,(H2,29,32)/t18-,19-/m1/s1
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
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))
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(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(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))
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259100
PNG
(CHEMBL3084528 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
Show InChI InChI=1S/C26H25Cl2N3O/c27-21-9-3-1-7-19(21)24(20-8-2-4-10-22(20)28)31-17-12-13-18(31)16-26(15-17,25(29)32)23-11-5-6-14-30-23/h1-11,14,17-18,24H,12-13,15-16H2,(H2,29,32)/t17-,18-/m1/s1
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4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
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
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))
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259145
PNG
(CHEMBL3084532 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(C)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C27H27Cl2N3O/c1-17-10-13-24(31-16-17)27(26(30)33)14-18-11-12-19(15-27)32(18)25(20-6-2-4-8-22(20)28)21-7-3-5-9-23(21)29/h2-10,13,16,18-19,25H,11-12,14-15H2,1H3,(H2,30,33)/t18-,19-/m1/s1
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259397
PNG
(CHEMBL3084549 | endo-N-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(C)=O)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C27H27Cl2N3O/c1-18(33)31-27(25-12-6-7-15-30-25)16-19-13-14-20(17-27)32(19)26(21-8-2-4-10-23(21)28)22-9-3-5-11-24(22)29/h2-12,15,19-20,26H,13-14,16-17H2,1H3,(H,31,33)/t19-,20-/m1/s1
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259396
PNG
(CHEMBL3084548 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](N)(C1)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:17:3.2|
Show InChI InChI=1S/C25H24Cl2FN3/c26-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)27)31-17-10-11-18(31)14-25(29,13-17)23-12-9-16(28)15-30-23/h1-9,12,15,17-18,24H,10-11,13-14,29H2/t17-,18-/m1/s1
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7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
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))
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(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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259142
PNG
(CHEMBL3084529 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24Cl2FN3O/c27-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)28)32-17-10-11-18(32)14-26(13-17,25(30)33)23-12-9-16(29)15-31-23/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
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(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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259345
PNG
(CHEMBL3084544 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cc(F)c(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C26H23Cl2F2N3O/c27-19-7-3-1-5-17(19)24(18-6-2-4-8-20(18)28)33-15-9-10-16(33)13-26(12-15,25(31)34)23-11-21(29)22(30)14-32-23/h1-8,11,14-16,24H,9-10,12-13H2,(H2,31,34)/t15-,16-/m1/s1
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9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259514
PNG
(CHEMBL3084554 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](Cc3ccc(Cl)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:3.2|
Show InChI InChI=1S/C28H27Cl3N2O/c29-19-11-9-18(10-12-19)15-28(27(32)34)16-20-13-14-21(17-28)33(20)26(22-5-1-3-7-24(22)30)23-6-2-4-8-25(23)31/h1-12,20-21,26H,13-17H2,(H2,32,34)/t20-,21-/m1/s1
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259279
PNG
(CHEMBL3084540 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cccc(F)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24Cl2FN3O/c27-20-8-3-1-6-18(20)24(19-7-2-4-9-21(19)28)32-16-12-13-17(32)15-26(14-16,25(30)33)22-10-5-11-23(29)31-22/h1-11,16-17,24H,12-15H2,(H2,30,33)/t16-,17-/m1/s1
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259399
PNG
(CHEMBL3084551 | endo-methyl 8-(bis(2-chlorophenyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H27Cl2N3O2/c1-34-26(33)31-27(24-12-6-7-15-30-24)16-18-13-14-19(17-27)32(18)25(20-8-2-4-10-22(20)28)21-9-3-5-11-23(21)29/h2-12,15,18-19,25H,13-14,16-17H2,1H3,(H,31,33)/t18-,19-/m1/s1
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259348
PNG
(CHEMBL3084547 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](N)(C1)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:16:3.2|
Show InChI InChI=1S/C25H25Cl2N3/c26-21-9-3-1-7-19(21)24(20-8-2-4-10-22(20)27)30-17-12-13-18(30)16-25(28,15-17)23-11-5-6-14-29-23/h1-11,14,17-18,24H,12-13,15-16,28H2/t17-,18-/m1/s1
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259398
PNG
(CHEMBL3084550 | endo-N-(8-(bis(2-chlorophenyl)meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(NC(C)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C27H26Cl2FN3O/c1-17(34)32-27(25-13-10-18(30)16-31-25)14-19-11-12-20(15-27)33(19)26(21-6-2-4-8-23(21)28)22-7-3-5-9-24(22)29/h2-10,13,16,19-20,26H,11-12,14-15H2,1H3,(H,32,34)/t19-,20-/m1/s1
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
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))
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))
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
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