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PubMed code 10098669

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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PubMed
0.430n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D4 receptor stably expressed in HEK293 cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50075360
PNG
(3-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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1.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D4 receptor stably expressed in HEK293 cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50075362
PNG
(3-(4-Phenethyl-piperidin-1-ylmethyl)-1H-pyrrolo[2,...)
Show SMILES C(Cc1ccccc1)C1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C21H25N3/c1-2-5-17(6-3-1)8-9-18-10-13-24(14-11-18)16-19-15-23-21-20(19)7-4-12-22-21/h1-7,12,15,18H,8-11,13-14,16H2,(H,22,23)
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1.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D4 receptor stably expressed in HEK293 cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50075357
PNG
(2-(4-Phenethyl-piperidin-1-ylmethyl)-1H-pyrrolo[2,...)
Show SMILES C(Cc1ccccc1)C1CCN(Cc2cc3cccnc3[nH]2)CC1
Show InChI InChI=1S/C21H25N3/c1-2-5-17(6-3-1)8-9-18-10-13-24(14-11-18)16-20-15-19-7-4-12-22-21(19)23-20/h1-7,12,15,18H,8-11,13-14,16H2,(H,22,23)
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2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D4 receptor stably expressed in HEK293 cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50450987
PNG
(CHEMBL2112913)
Show SMILES C(Cc1c[nH]c2ncccc12)N1CCC(\C=C\c2ccccc2)=CC1 |c:25|
Show InChI InChI=1S/C22H23N3/c1-2-5-18(6-3-1)8-9-19-10-14-25(15-11-19)16-12-20-17-24-22-21(20)7-4-13-23-22/h1-10,13,17H,11-12,14-16H2,(H,23,24)/b9-8+
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6.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D4 receptor stably expressed in HEK293 cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50075363
PNG
(2-(1H-Pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,3,4-te...)
Show SMILES C(N1CCc2ccccc2C1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H17N3/c1-2-5-14-11-20(9-7-13(14)4-1)12-15-10-19-17-16(15)6-3-8-18-17/h1-6,8,10H,7,9,11-12H2,(H,18,19)
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7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D4 receptor stably expressed in HEK293 cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50450988
PNG
(CHEMBL2112912)
Show SMILES C(Cc1c[nH]c2ncccc12)N1CCC(=CC1)c1ccccc1 |c:16|
Show InChI InChI=1S/C20H21N3/c1-2-5-16(6-3-1)17-8-12-23(13-9-17)14-10-18-15-22-20-19(18)7-4-11-21-20/h1-8,11,15H,9-10,12-14H2,(H,21,22)
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10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D3 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50075359
PNG
(2-{2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-ethyl}-1...)
Show SMILES Clc1ccc(cc1)N1CCN(CCc2cc3cccnc3[nH]2)CC1
Show InChI InChI=1S/C19H21ClN4/c20-16-3-5-18(6-4-16)24-12-10-23(11-13-24)9-7-17-14-15-2-1-8-21-19(15)22-17/h1-6,8,14H,7,9-13H2,(H,21,22)
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12n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D4 receptor stably expressed in HEK293 cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50450988
PNG
(CHEMBL2112912)
Show SMILES C(Cc1c[nH]c2ncccc12)N1CCC(=CC1)c1ccccc1 |c:16|
Show InChI InChI=1S/C20H21N3/c1-2-5-16(6-3-1)17-8-12-23(13-9-17)14-10-18-15-22-20-19(18)7-4-11-21-20/h1-8,11,15H,9-10,12-14H2,(H,21,22)
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21n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D2 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50075365
PNG
(2-[2-(4-Styryl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]...)
Show SMILES C(Cc1cc2cccnc2[nH]1)N1CCC(\C=C\c2ccccc2)=CC1 |c:25|
Show InChI InChI=1S/C22H23N3/c1-2-5-18(6-3-1)8-9-19-10-14-25(15-11-19)16-12-21-17-20-7-4-13-23-22(20)24-21/h1-10,13,17H,11-12,14-16H2,(H,23,24)/b9-8+
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25n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D3 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50075356
PNG
(3-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4O/c1-25-18-6-4-17(5-7-18)24-13-11-23(12-14-24)10-8-16-15-22-20-19(16)3-2-9-21-20/h2-7,9,15H,8,10-14H2,1H3,(H,21,22)
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26n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D4 receptor stably expressed in HEK293 cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50075365
PNG
(2-[2-(4-Styryl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]...)
Show SMILES C(Cc1cc2cccnc2[nH]1)N1CCC(\C=C\c2ccccc2)=CC1 |c:25|
Show InChI InChI=1S/C22H23N3/c1-2-5-18(6-3-1)8-9-19-10-14-25(15-11-19)16-12-21-17-20-7-4-13-23-22(20)24-21/h1-10,13,17H,11-12,14-16H2,(H,23,24)/b9-8+
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30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D4 receptor stably expressed in HEK293 cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50450988
PNG
(CHEMBL2112912)
Show SMILES C(Cc1c[nH]c2ncccc12)N1CCC(=CC1)c1ccccc1 |c:16|
Show InChI InChI=1S/C20H21N3/c1-2-5-16(6-3-1)17-8-12-23(13-9-17)14-10-18-15-22-20-19(18)7-4-11-21-20/h1-8,11,15H,9-10,12-14H2,(H,21,22)
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34n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D4 receptor stably expressed in HEK293 cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50075359
PNG
(2-{2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-ethyl}-1...)
Show SMILES Clc1ccc(cc1)N1CCN(CCc2cc3cccnc3[nH]2)CC1
Show InChI InChI=1S/C19H21ClN4/c20-16-3-5-18(6-4-16)24-12-10-23(11-13-24)9-7-17-14-15-2-1-8-21-19(15)22-17/h1-6,8,14H,7,9-13H2,(H,21,22)
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50n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D3 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50075364
PNG
(2-(1H-Pyrrolo[2,3-b]pyridin-2-ylmethyl)-1,2,3,4-te...)
Show SMILES C(N1CCc2ccccc2C1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C17H17N3/c1-2-5-15-11-20(9-7-13(15)4-1)12-16-10-14-6-3-8-18-17(14)19-16/h1-6,8,10H,7,9,11-12H2,(H,18,19)
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59n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D4 receptor stably expressed in HEK293 cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50075363
PNG
(2-(1H-Pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,3,4-te...)
Show SMILES C(N1CCc2ccccc2C1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H17N3/c1-2-5-14-11-20(9-7-13(14)4-1)12-15-10-19-17-16(15)6-3-8-18-17/h1-6,8,10H,7,9,11-12H2,(H,18,19)
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170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D3 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50450987
PNG
(CHEMBL2112913)
Show SMILES C(Cc1c[nH]c2ncccc12)N1CCC(\C=C\c2ccccc2)=CC1 |c:25|
Show InChI InChI=1S/C22H23N3/c1-2-5-18(6-3-1)8-9-19-10-14-25(15-11-19)16-12-20-17-24-22-21(20)7-4-13-23-22/h1-10,13,17H,11-12,14-16H2,(H,23,24)/b9-8+
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180n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D3 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50075357
PNG
(2-(4-Phenethyl-piperidin-1-ylmethyl)-1H-pyrrolo[2,...)
Show SMILES C(Cc1ccccc1)C1CCN(Cc2cc3cccnc3[nH]2)CC1
Show InChI InChI=1S/C21H25N3/c1-2-5-17(6-3-1)8-9-18-10-13-24(14-11-18)16-20-15-19-7-4-12-22-21(19)23-20/h1-7,12,15,18H,8-11,13-14,16H2,(H,22,23)
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200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D2 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50075357
PNG
(2-(4-Phenethyl-piperidin-1-ylmethyl)-1H-pyrrolo[2,...)
Show SMILES C(Cc1ccccc1)C1CCN(Cc2cc3cccnc3[nH]2)CC1
Show InChI InChI=1S/C21H25N3/c1-2-5-17(6-3-1)8-9-18-10-13-24(14-11-18)16-20-15-19-7-4-12-22-21(19)23-20/h1-7,12,15,18H,8-11,13-14,16H2,(H,22,23)
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250n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D3 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50450987
PNG
(CHEMBL2112913)
Show SMILES C(Cc1c[nH]c2ncccc12)N1CCC(\C=C\c2ccccc2)=CC1 |c:25|
Show InChI InChI=1S/C22H23N3/c1-2-5-18(6-3-1)8-9-19-10-14-25(15-11-19)16-12-20-17-24-22-21(20)7-4-13-23-22/h1-10,13,17H,11-12,14-16H2,(H,23,24)/b9-8+
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280n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D2 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50075356
PNG
(3-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4O/c1-25-18-6-4-17(5-7-18)24-13-11-23(12-14-24)10-8-16-15-22-20-19(16)3-2-9-21-20/h2-7,9,15H,8,10-14H2,1H3,(H,21,22)
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530n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D3 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50075364
PNG
(2-(1H-Pyrrolo[2,3-b]pyridin-2-ylmethyl)-1,2,3,4-te...)
Show SMILES C(N1CCc2ccccc2C1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C17H17N3/c1-2-5-15-11-20(9-7-13(15)4-1)12-16-10-14-6-3-8-18-17(14)19-16/h1-6,8,10H,7,9,11-12H2,(H,18,19)
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600n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D2 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50075363
PNG
(2-(1H-Pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,3,4-te...)
Show SMILES C(N1CCc2ccccc2C1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H17N3/c1-2-5-14-11-20(9-7-13(14)4-1)12-15-10-19-17-16(15)6-3-8-18-17/h1-6,8,10H,7,9,11-12H2,(H,18,19)
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640n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D2 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50075359
PNG
(2-{2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-ethyl}-1...)
Show SMILES Clc1ccc(cc1)N1CCN(CCc2cc3cccnc3[nH]2)CC1
Show InChI InChI=1S/C19H21ClN4/c20-16-3-5-18(6-4-16)24-12-10-23(11-13-24)9-7-17-14-15-2-1-8-21-19(15)22-17/h1-6,8,14H,7,9-13H2,(H,21,22)
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800n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D2 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50075356
PNG
(3-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4O/c1-25-18-6-4-17(5-7-18)24-13-11-23(12-14-24)10-8-16-15-22-20-19(16)3-2-9-21-20/h2-7,9,15H,8,10-14H2,1H3,(H,21,22)
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900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D2 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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960n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D2 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50075362
PNG
(3-(4-Phenethyl-piperidin-1-ylmethyl)-1H-pyrrolo[2,...)
Show SMILES C(Cc1ccccc1)C1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C21H25N3/c1-2-5-17(6-3-1)8-9-18-10-13-24(14-11-18)16-19-15-23-21-20(19)7-4-12-22-21/h1-7,12,15,18H,8-11,13-14,16H2,(H,22,23)
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1.10E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D2 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50075364
PNG
(2-(1H-Pyrrolo[2,3-b]pyridin-2-ylmethyl)-1,2,3,4-te...)
Show SMILES C(N1CCc2ccccc2C1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C17H17N3/c1-2-5-15-11-20(9-7-13(15)4-1)12-16-10-14-6-3-8-18-17(14)19-16/h1-6,8,10H,7,9,11-12H2,(H,18,19)
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1.10E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D3 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50075365
PNG
(2-[2-(4-Styryl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]...)
Show SMILES C(Cc1cc2cccnc2[nH]1)N1CCC(\C=C\c2ccccc2)=CC1 |c:25|
Show InChI InChI=1S/C22H23N3/c1-2-5-18(6-3-1)8-9-19-10-14-25(15-11-19)16-12-21-17-20-7-4-13-23-22(20)24-21/h1-10,13,17H,11-12,14-16H2,(H,23,24)/b9-8+
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1.30E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D2 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50075362
PNG
(3-(4-Phenethyl-piperidin-1-ylmethyl)-1H-pyrrolo[2,...)
Show SMILES C(Cc1ccccc1)C1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C21H25N3/c1-2-5-17(6-3-1)8-9-18-10-13-24(14-11-18)16-19-15-23-21-20(19)7-4-12-22-21/h1-7,12,15,18H,8-11,13-14,16H2,(H,22,23)
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1.30E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D3 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50075360
PNG
(3-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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>1.50E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D2 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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2.30E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D3 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50075360
PNG
(3-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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3.90E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D3 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%