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PubMed code 26555041

Compile data set for download or QSAR
Found 42 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(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50499869
PNG
(CHEMBL3742140)
Show SMILES OC(=O)C(F)(F)F.Nc1nc2CC[C@@H](Cc2s1)N(CCN1CCN(CC1)c1ccc2cc[nH]c2c1Cl)CC#N |r|
Show InChI InChI=1S/C23H28ClN7S.C2HF3O2/c24-21-19(4-1-16-5-7-27-22(16)21)31-13-10-29(11-14-31)9-12-30(8-6-25)17-2-3-18-20(15-17)32-23(26)28-18;3-2(4,5)1(6)7/h1,4-5,7,17,27H,2-3,8-15H2,(H2,26,28);(H,6,7)/t17-;/m0./s1
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 0.145n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50499868
PNG
(CHEMBL3740286)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(CC1)c1c(Cl)ccc2[nH]ccc12)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C24H33ClN6S.C2HF3O2/c1-2-9-30(17-3-5-21-22(16-17)32-24(26)28-21)13-10-29-11-14-31(15-12-29)23-18-7-8-27-20(18)6-4-19(23)25;3-2(4,5)1(6)7/h4,6-8,17,27H,2-3,5,9-16H2,1H3,(H2,26,28);(H,6,7)/t17-;/m0./s1
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 0.870n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50499867
PNG
(CHEMBL3740041)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(CC1)c1ccc2cc[nH]c2c1Cl)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C24H33ClN6S.C2HF3O2/c1-2-9-30(18-4-5-19-21(16-18)32-24(26)28-19)13-10-29-11-14-31(15-12-29)20-6-3-17-7-8-27-23(17)22(20)25;3-2(4,5)1(6)7/h3,6-8,18,27H,2,4-5,9-16H2,1H3,(H2,26,28);(H,6,7)/t18-;/m0./s1
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 1.20n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50115277
PNG
((2R,3R)-6-Dipropylamino-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
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 2.10n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50499871
PNG
(CHEMBL3740760)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(CC1)c1cc(F)c2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C24H33FN6S.C2HF3O2/c1-2-7-30(18-3-4-21-22(16-18)32-24(26)28-21)11-8-29-9-12-31(13-10-29)19-14-17-5-6-27-23(17)20(25)15-19;3-2(4,5)1(6)7/h5-6,14-15,18,27H,2-4,7-13,16H2,1H3,(H2,26,28);(H,6,7)/t18-;/m0./s1
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 3.70n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50499876
PNG
(CHEMBL3740829)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(Cc2c[nH]c3cccc(F)c23)CC1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H35FN6S.C2HF3O2/c1-2-8-32(19-6-7-21-23(15-19)33-25(27)29-21)14-13-30-9-11-31(12-10-30)17-18-16-28-22-5-3-4-20(26)24(18)22;3-2(4,5)1(6)7/h3-5,16,19,28H,2,6-15,17H2,1H3,(H2,27,29);(H,6,7)
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 8.90n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50499874
PNG
(CHEMBL3740143)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(Cc2c[nH]c3ccc(F)cc23)CC1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H35FN6S.C2HF3O2/c1-2-7-32(20-4-6-23-24(15-20)33-25(27)29-23)13-12-30-8-10-31(11-9-30)17-18-16-28-22-5-3-19(26)14-21(18)22;3-2(4,5)1(6)7/h3,5,14,16,20,28H,2,4,6-13,15,17H2,1H3,(H2,27,29);(H,6,7)
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 12n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50499873
PNG
(CHEMBL3742127)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(Cc2c[nH]c3ccc(Br)cc23)CC1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H35BrN6S.C2HF3O2/c1-2-7-32(20-4-6-23-24(15-20)33-25(27)29-23)13-12-30-8-10-31(11-9-30)17-18-16-28-22-5-3-19(26)14-21(18)22;3-2(4,5)1(6)7/h3,5,14,16,20,28H,2,4,6-13,15,17H2,1H3,(H2,27,29);(H,6,7)
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 13n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50499870
PNG
(CHEMBL3740778)
Show SMILES OC(=O)C(F)(F)F.Nc1nc2CC[C@@H](Cc2s1)N(CCN1CCN(CC1)c1ccc2[nH]ccc2c1Cl)CC#N |r|
Show InChI InChI=1S/C23H28ClN7S.C2HF3O2/c24-22-17-5-7-27-18(17)3-4-20(22)31-13-10-29(11-14-31)9-12-30(8-6-25)16-1-2-19-21(15-16)32-23(26)28-19;3-2(4,5)1(6)7/h3-5,7,16,27H,1-2,8-15H2,(H2,26,28);(H,6,7)/t16-;/m0./s1
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 14n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50499875
PNG
(CHEMBL3741175)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(Cc2c[nH]c3cccc(Cl)c23)CC1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H35ClN6S.C2HF3O2/c1-2-8-32(19-6-7-21-23(15-19)33-25(27)29-21)14-13-30-9-11-31(12-10-30)17-18-16-28-22-5-3-4-20(26)24(18)22;3-2(4,5)1(6)7/h3-5,16,19,28H,2,6-15,17H2,1H3,(H2,27,29);(H,6,7)
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 14n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50499867
PNG
(CHEMBL3740041)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(CC1)c1ccc2cc[nH]c2c1Cl)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C24H33ClN6S.C2HF3O2/c1-2-9-30(18-4-5-19-21(16-18)32-24(26)28-19)13-10-29-11-14-31(15-12-29)20-6-3-17-7-8-27-23(17)22(20)25;3-2(4,5)1(6)7/h3,6-8,18,27H,2,4-5,9-16H2,1H3,(H2,26,28);(H,6,7)/t18-;/m0./s1
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 16n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D2L receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50499872
PNG
(CHEMBL3740474)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(Cc2c[nH]c3ccc(OC)cc23)CC1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C26H38N6OS.C2HF3O2/c1-3-8-32(20-4-6-24-25(15-20)34-26(27)29-24)14-13-30-9-11-31(12-10-30)18-19-17-28-23-7-5-21(33-2)16-22(19)23;3-2(4,5)1(6)7/h5,7,16-17,20,28H,3-4,6,8-15,18H2,1-2H3,(H2,27,29);(H,6,7)
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 16n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50499866
PNG
(CHEMBL3742273)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(Cc2c[nH]c3cccc(OC)c23)CC1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C26H38N6OS.C2HF3O2/c1-3-9-32(20-7-8-21-24(16-20)34-26(27)29-21)15-14-30-10-12-31(13-11-30)18-19-17-28-22-5-4-6-23(33-2)25(19)22;3-2(4,5)1(6)7/h4-6,17,20,28H,3,7-16,18H2,1-2H3,(H2,27,29);(H,6,7)
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 25n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50499868
PNG
(CHEMBL3740286)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(CC1)c1c(Cl)ccc2[nH]ccc12)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C24H33ClN6S.C2HF3O2/c1-2-9-30(17-3-5-21-22(16-17)32-24(26)28-21)13-10-29-11-14-31(15-12-29)23-18-7-8-27-20(18)6-4-19(23)25;3-2(4,5)1(6)7/h4,6-8,17,27H,2-3,5,9-16H2,1H3,(H2,26,28);(H,6,7)/t17-;/m0./s1
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 75n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D2L receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50499870
PNG
(CHEMBL3740778)
Show SMILES OC(=O)C(F)(F)F.Nc1nc2CC[C@@H](Cc2s1)N(CCN1CCN(CC1)c1ccc2[nH]ccc2c1Cl)CC#N |r|
Show InChI InChI=1S/C23H28ClN7S.C2HF3O2/c24-22-17-5-7-27-18(17)3-4-20(22)31-13-10-29(11-14-31)9-12-30(8-6-25)16-1-2-19-21(15-16)32-23(26)28-19;3-2(4,5)1(6)7/h3-5,7,16,27H,1-2,8-15H2,(H2,26,28);(H,6,7)/t16-;/m0./s1
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 87n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D2L receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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 101n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50115277
PNG
((2R,3R)-6-Dipropylamino-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
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 153n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D2L receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50499871
PNG
(CHEMBL3740760)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(CC1)c1cc(F)c2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C24H33FN6S.C2HF3O2/c1-2-7-30(18-3-4-21-22(16-18)32-24(26)28-21)11-8-29-9-12-31(13-10-29)19-14-17-5-6-27-23(17)20(25)15-19;3-2(4,5)1(6)7/h5-6,14-15,18,27H,2-4,7-13,16H2,1H3,(H2,26,28);(H,6,7)/t18-;/m0./s1
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 156n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D2L receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50499869
PNG
(CHEMBL3742140)
Show SMILES OC(=O)C(F)(F)F.Nc1nc2CC[C@@H](Cc2s1)N(CCN1CCN(CC1)c1ccc2cc[nH]c2c1Cl)CC#N |r|
Show InChI InChI=1S/C23H28ClN7S.C2HF3O2/c24-21-19(4-1-16-5-7-27-22(16)21)31-13-10-29(11-14-31)9-12-30(8-6-25)17-2-3-18-20(15-17)32-23(26)28-18;3-2(4,5)1(6)7/h1,4-5,7,17,27H,2-3,8-15H2,(H2,26,28);(H,6,7)/t17-;/m0./s1
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 172n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D2L receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50499873
PNG
(CHEMBL3742127)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(Cc2c[nH]c3ccc(Br)cc23)CC1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H35BrN6S.C2HF3O2/c1-2-7-32(20-4-6-23-24(15-20)33-25(27)29-23)13-12-30-8-10-31(11-9-30)17-18-16-28-22-5-3-19(26)14-21(18)22;3-2(4,5)1(6)7/h3,5,14,16,20,28H,2,4,6-13,15,17H2,1H3,(H2,27,29);(H,6,7)
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 376n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D2L receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50499874
PNG
(CHEMBL3740143)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(Cc2c[nH]c3ccc(F)cc23)CC1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H35FN6S.C2HF3O2/c1-2-7-32(20-4-6-23-24(15-20)33-25(27)29-23)13-12-30-8-10-31(11-9-30)17-18-16-28-22-5-3-19(26)14-21(18)22;3-2(4,5)1(6)7/h3,5,14,16,20,28H,2,4,6-13,15,17H2,1H3,(H2,27,29);(H,6,7)
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 854n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D2L receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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 990n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D2L receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50499876
PNG
(CHEMBL3740829)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(Cc2c[nH]c3cccc(F)c23)CC1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H35FN6S.C2HF3O2/c1-2-8-32(19-6-7-21-23(15-19)33-25(27)29-21)14-13-30-9-11-31(12-10-30)17-18-16-28-22-5-3-4-20(26)24(18)22;3-2(4,5)1(6)7/h3-5,16,19,28H,2,6-15,17H2,1H3,(H2,27,29);(H,6,7)
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 992n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D2L receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50499875
PNG
(CHEMBL3741175)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(Cc2c[nH]c3cccc(Cl)c23)CC1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C25H35ClN6S.C2HF3O2/c1-2-8-32(19-6-7-21-23(15-19)33-25(27)29-21)14-13-30-9-11-31(12-10-30)17-18-16-28-22-5-3-4-20(26)24(18)22;3-2(4,5)1(6)7/h3-5,16,19,28H,2,6-15,17H2,1H3,(H2,27,29);(H,6,7)
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 1.16E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D2L receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50499872
PNG
(CHEMBL3740474)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(Cc2c[nH]c3ccc(OC)cc23)CC1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C26H38N6OS.C2HF3O2/c1-3-8-32(20-4-6-24-25(15-20)34-26(27)29-24)14-13-30-9-11-31(12-10-30)18-19-17-28-23-7-5-21(33-2)16-22(19)23;3-2(4,5)1(6)7/h5,7,16-17,20,28H,3-4,6,8-15,18H2,1-2H3,(H2,27,29);(H,6,7)
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 1.64E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D2L receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50499866
PNG
(CHEMBL3742273)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(Cc2c[nH]c3cccc(OC)c23)CC1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C26H38N6OS.C2HF3O2/c1-3-9-32(20-7-8-21-24(16-20)34-26(27)29-21)15-14-30-10-12-31(13-11-30)18-19-17-28-22-5-4-6-23(33-2)25(19)22;3-2(4,5)1(6)7/h4-6,17,20,28H,3,7-16,18H2,1-2H3,(H2,27,29);(H,6,7)
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 1.88E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiroperidol from cloned rat dopamine D2L receptor expressed in HEK293 cells by liquid scintillation counting analysis

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50499870
PNG
(CHEMBL3740778)
Show SMILES OC(=O)C(F)(F)F.Nc1nc2CC[C@@H](Cc2s1)N(CCN1CCN(CC1)c1ccc2[nH]ccc2c1Cl)CC#N |r|
Show InChI InChI=1S/C23H28ClN7S.C2HF3O2/c24-22-17-5-7-27-18(17)3-4-20(22)31-13-10-29(11-14-31)9-12-30(8-6-25)16-1-2-19-21(15-16)32-23(26)28-19;3-2(4,5)1(6)7/h3-5,7,16,27H,1-2,8-15H2,(H2,26,28);(H,6,7)/t16-;/m0./s1
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n/an/an/an/a 22n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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n/an/an/an/a 844n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Antagonist activity against human D2 receptor expressed in CHO cells assessed as dopamine EC50 at 1 uM by [35S]GTPgammaS binding assay (Rvb = 225 +/-...

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50499870
PNG
(CHEMBL3740778)
Show SMILES OC(=O)C(F)(F)F.Nc1nc2CC[C@@H](Cc2s1)N(CCN1CCN(CC1)c1ccc2[nH]ccc2c1Cl)CC#N |r|
Show InChI InChI=1S/C23H28ClN7S.C2HF3O2/c24-22-17-5-7-27-18(17)3-4-20(22)31-13-10-29(11-14-31)9-12-30(8-6-25)16-1-2-19-21(15-16)32-23(26)28-19;3-2(4,5)1(6)7/h3-5,7,16,27H,1-2,8-15H2,(H2,26,28);(H,6,7)/t16-;/m0./s1
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n/an/an/an/a 423n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Antagonist activity against human D2 receptor expressed in CHO cells assessed as dopamine EC50 at 50 nM by [35S]GTPgammaS binding assay (Rvb = 225 +/...

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50499869
PNG
(CHEMBL3742140)
Show SMILES OC(=O)C(F)(F)F.Nc1nc2CC[C@@H](Cc2s1)N(CCN1CCN(CC1)c1ccc2cc[nH]c2c1Cl)CC#N |r|
Show InChI InChI=1S/C23H28ClN7S.C2HF3O2/c24-21-19(4-1-16-5-7-27-22(16)21)31-13-10-29(11-14-31)9-12-30(8-6-25)17-2-3-18-20(15-17)32-23(26)28-18;3-2(4,5)1(6)7/h1,4-5,7,17,27H,2-3,8-15H2,(H2,26,28);(H,6,7)/t17-;/m0./s1
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n/an/an/an/a 0.840n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50499868
PNG
(CHEMBL3740286)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(CC1)c1c(Cl)ccc2[nH]ccc12)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C24H33ClN6S.C2HF3O2/c1-2-9-30(17-3-5-21-22(16-17)32-24(26)28-21)13-10-29-11-14-31(15-12-29)23-18-7-8-27-20(18)6-4-19(23)25;3-2(4,5)1(6)7/h4,6-8,17,27H,2-3,5,9-16H2,1H3,(H2,26,28);(H,6,7)/t17-;/m0./s1
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n/an/an/an/a 3.90n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50499867
PNG
(CHEMBL3740041)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(CC1)c1ccc2cc[nH]c2c1Cl)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C24H33ClN6S.C2HF3O2/c1-2-9-30(18-4-5-19-21(16-18)32-24(26)28-19)13-10-29-11-14-31(15-12-29)20-6-3-17-7-8-27-23(17)22(20)25;3-2(4,5)1(6)7/h3,6-8,18,27H,2,4-5,9-16H2,1H3,(H2,26,28);(H,6,7)/t18-;/m0./s1
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n/an/an/an/a 1.40n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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n/an/an/an/a 52n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/an/an/a 5.30n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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n/an/an/an/a 163n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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n/an/an/an/a 376n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Antagonist activity against human D2 receptor expressed in CHO cells assessed as dopamine EC50 at 200 nM by [35S]GTPgammaS binding assay (Rvb = 225 +...

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50499869
PNG
(CHEMBL3742140)
Show SMILES OC(=O)C(F)(F)F.Nc1nc2CC[C@@H](Cc2s1)N(CCN1CCN(CC1)c1ccc2cc[nH]c2c1Cl)CC#N |r|
Show InChI InChI=1S/C23H28ClN7S.C2HF3O2/c24-21-19(4-1-16-5-7-27-22(16)21)31-13-10-29(11-14-31)9-12-30(8-6-25)17-2-3-18-20(15-17)32-23(26)28-18;3-2(4,5)1(6)7/h1,4-5,7,17,27H,2-3,8-15H2,(H2,26,28);(H,6,7)/t17-;/m0./s1
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n/an/an/an/a 39n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/an/an/a 183n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50499870
PNG
(CHEMBL3740778)
Show SMILES OC(=O)C(F)(F)F.Nc1nc2CC[C@@H](Cc2s1)N(CCN1CCN(CC1)c1ccc2[nH]ccc2c1Cl)CC#N |r|
Show InChI InChI=1S/C23H28ClN7S.C2HF3O2/c24-22-17-5-7-27-18(17)3-4-20(22)31-13-10-29(11-14-31)9-12-30(8-6-25)16-1-2-19-21(15-16)32-23(26)28-19;3-2(4,5)1(6)7/h3-5,7,16,27H,1-2,8-15H2,(H2,26,28);(H,6,7)/t16-;/m0./s1
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n/an/an/an/a 11n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50499870
PNG
(CHEMBL3740778)
Show SMILES OC(=O)C(F)(F)F.Nc1nc2CC[C@@H](Cc2s1)N(CCN1CCN(CC1)c1ccc2[nH]ccc2c1Cl)CC#N |r|
Show InChI InChI=1S/C23H28ClN7S.C2HF3O2/c24-22-17-5-7-27-18(17)3-4-20(22)31-13-10-29(11-14-31)9-12-30(8-6-25)16-1-2-19-21(15-16)32-23(26)28-19;3-2(4,5)1(6)7/h3-5,7,16,27H,1-2,8-15H2,(H2,26,28);(H,6,7)/t16-;/m0./s1
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n/an/an/an/a 3.93E+3n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Antagonist activity against human D2 receptor expressed in CHO cells assessed as dopamine EC50 at 300 nM by [35S]GTPgammaS binding assay (Rvb = 225 +...

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50499867
PNG
(CHEMBL3740041)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(CC1)c1ccc2cc[nH]c2c1Cl)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C24H33ClN6S.C2HF3O2/c1-2-9-30(18-4-5-19-21(16-18)32-24(26)28-19)13-10-29-11-14-31(15-12-29)20-6-3-17-7-8-27-23(17)22(20)25;3-2(4,5)1(6)7/h3,6-8,18,27H,2,4-5,9-16H2,1H3,(H2,26,28);(H,6,7)/t18-;/m0./s1
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n/an/an/an/a 3.20n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50499868
PNG
(CHEMBL3740286)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(CC1)c1c(Cl)ccc2[nH]ccc12)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C24H33ClN6S.C2HF3O2/c1-2-9-30(17-3-5-21-22(16-17)32-24(26)28-21)13-10-29-11-14-31(15-12-29)23-18-7-8-27-20(18)6-4-19(23)25;3-2(4,5)1(6)7/h4,6-8,17,27H,2-3,5,9-16H2,1H3,(H2,26,28);(H,6,7)/t17-;/m0./s1
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n/an/an/an/a 33n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 58: 9179-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01031
BindingDB Entry DOI: 10.7270/Q2N019HB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%