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Compile Data Set for Download or QSAR

Found 616 hits with Last Name = 'griffin' and Initial = 's'   
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(2) dopamine receptor


(Homo sapiens (Human))		BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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 0.0600n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from recombinant human D2 long receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation ...

J Med Chem 62: 5132-5147 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00412
BindingDB Entry DOI: 10.7270/Q2Z03CM2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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 0.0600n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method

J Med Chem 60: 9905-9910 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01248
BindingDB Entry DOI: 10.7270/Q21838X7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50339685
PNG
(4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)
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 0.170n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...

Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.020
BindingDB Entry DOI: 10.7270/Q2JQ14CS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50512803
PNG
(CHEMBL4567895)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H31N3O2S/c1-31-25-7-3-2-6-24(25)29-17-15-28(16-18-29)14-5-4-13-27-26(30)22-10-8-21(9-11-22)23-12-19-32-20-23/h2-3,6-12,19-20H,4-5,13-18H2,1H3,(H,27,30)
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 0.200n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...

Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.020
BindingDB Entry DOI: 10.7270/Q2JQ14CS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50250803
PNG
(CHEMBL4083252)
Show SMILES COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
Show InChI InChI=1S/C23H29N5OS/c1-26-22(19-9-4-3-5-10-19)24-25-23(26)30-18-8-13-27-14-16-28(17-15-27)20-11-6-7-12-21(20)29-2/h3-7,9-12H,8,13-18H2,1-2H3
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 0.220n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method

J Med Chem 60: 9905-9910 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01248
BindingDB Entry DOI: 10.7270/Q21838X7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50512799
PNG
(CHEMBL4571568)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1C#N)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C26H28N4OS/c27-19-23-5-1-2-6-25(23)30-16-14-29(15-17-30)13-4-3-12-28-26(31)22-9-7-21(8-10-22)24-11-18-32-20-24/h1-2,5-11,18,20H,3-4,12-17H2,(H,28,31)
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 0.25n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...

Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.020
BindingDB Entry DOI: 10.7270/Q2JQ14CS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50119380
PNG
(CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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 0.300n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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 0.330n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method

J Med Chem 60: 9905-9910 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01248
BindingDB Entry DOI: 10.7270/Q21838X7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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 0.330n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from recombinant human D3 receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation count...

J Med Chem 62: 5132-5147 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00412
BindingDB Entry DOI: 10.7270/Q2Z03CM2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50512801
PNG
(CHEMBL4590192)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H28F3N3OS/c27-26(28,29)23-4-3-5-24(18-23)32-15-13-31(14-16-32)12-2-1-11-30-25(33)21-8-6-20(7-9-21)22-10-17-34-19-22/h3-10,17-19H,1-2,11-16H2,(H,30,33)
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 0.410n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...

Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.020
BindingDB Entry DOI: 10.7270/Q2JQ14CS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50512789
PNG
(CHEMBL4583609)
Show SMILES Clc1cc(Cl)cc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-15-23(27)17-24(16-22)30-12-10-29(11-13-30)9-2-1-8-28-25(31)20-5-3-19(4-6-20)21-7-14-32-18-21/h3-7,14-18H,1-2,8-13H2,(H,28,31)
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 0.440n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...

Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.020
BindingDB Entry DOI: 10.7270/Q2JQ14CS
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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 0.450n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of D4 receptor (unknown origin)

J Med Chem 62: 5132-5147 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00412
BindingDB Entry DOI: 10.7270/Q2Z03CM2
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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 0.450n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor (unknown origin)

J Med Chem 60: 9905-9910 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01248
BindingDB Entry DOI: 10.7270/Q21838X7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50512797
PNG
(CHEMBL4579251)
Show SMILES Oc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C25H29N3O2S/c29-24-5-3-4-23(18-24)28-15-13-27(14-16-28)12-2-1-11-26-25(30)21-8-6-20(7-9-21)22-10-17-31-19-22/h3-10,17-19,29H,1-2,11-16H2,(H,26,30)
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 0.470n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...

Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.020
BindingDB Entry DOI: 10.7270/Q2JQ14CS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50512787
PNG
(CHEMBL4437341)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C26H28N4OS/c27-19-21-4-3-5-25(18-21)30-15-13-29(14-16-30)12-2-1-11-28-26(31)23-8-6-22(7-9-23)24-10-17-32-20-24/h3-10,17-18,20H,1-2,11-16H2,(H,28,31)
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 0.5n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...

Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.020
BindingDB Entry DOI: 10.7270/Q2JQ14CS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50512794
PNG
(CHEMBL4450777)
Show SMILES Clc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C25H28ClN3OS/c26-23-5-1-2-6-24(23)29-16-14-28(15-17-29)13-4-3-12-27-25(30)21-9-7-20(8-10-21)22-11-18-31-19-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,27,30)
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 0.550n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...

Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.020
BindingDB Entry DOI: 10.7270/Q2JQ14CS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50512805
PNG
(CHEMBL4587635)
Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H31N3OS/c1-21-6-2-3-7-25(21)29-17-15-28(16-18-29)14-5-4-13-27-26(30)23-10-8-22(9-11-23)24-12-19-31-20-24/h2-3,6-12,19-20H,4-5,13-18H2,1H3,(H,27,30)
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 0.680n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...

Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.020
BindingDB Entry DOI: 10.7270/Q2JQ14CS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50161214
PNG
(CHEMBL180010 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
Show InChI InChI=1S/C26H26Cl2N4O/c27-22-6-5-8-24(25(22)28)32-18-16-31(17-19-32)15-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-13H,14-19H2,(H,30,33)/b4-3+
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 0.700n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50343810
PNG
(CHEMBL1774552 | benzo[b]thiophene-2-carboxylic aci...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3csc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-19-7-5-8-20(22(19)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)18-16-30-21-9-2-1-6-17(18)21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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 0.800n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50119384
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2,3-dichloro-p...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O2/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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 0.800n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50512802
PNG
(CHEMBL4535174)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccsc3)CC2)c1Cl
Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-4-3-5-23(24(22)27)30-15-13-29(14-16-30)12-2-1-11-28-25(31)20-8-6-19(7-9-20)21-10-17-32-18-21/h3-10,17-18H,1-2,11-16H2,(H,28,31)
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 0.890n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...

Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.020
BindingDB Entry DOI: 10.7270/Q2JQ14CS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50250803
PNG
(CHEMBL4083252)
Show SMILES COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
Show InChI InChI=1S/C23H29N5OS/c1-26-22(19-9-4-3-5-10-19)24-25-23(26)30-18-8-13-27-14-16-28(17-15-27)20-11-6-7-12-21(20)29-2/h3-7,9-12H,8,13-18H2,1-2H3
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 0.900n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-Way100635 from recombinant human 5HT1A receptor transiently expressed in CHO cell membranes measured after 90 mins by microbeta ...

J Med Chem 62: 5132-5147 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00412
BindingDB Entry DOI: 10.7270/Q2Z03CM2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50343798
PNG
(CHEMBL1774541 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H27Cl2FN4O2/c1-33-18-5-6-20-16(13-18)14-21(29-20)24(32)28-8-7-17(27)15-30-9-11-31(12-10-30)22-4-2-3-19(25)23(22)26/h2-6,13-14,17,29H,7-12,15H2,1H3,(H,28,32)
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 1.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50512800
PNG
(CHEMBL4476605)
Show SMILES FC(F)(F)c1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H28F3N3OS/c27-26(28,29)23-5-1-2-6-24(23)32-16-14-31(15-17-32)13-4-3-12-30-25(33)21-9-7-20(8-10-21)22-11-18-34-19-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,30,33)
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 1.5n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...

Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.020
BindingDB Entry DOI: 10.7270/Q2JQ14CS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50071959
PNG
(9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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 2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50343794
PNG
(CHEMBL1774537 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES FC(CCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C28H28Cl2FN3O/c29-25-6-3-7-26(27(25)30)34-14-12-33(13-15-34)18-22(31)10-11-32-28(35)20-8-9-24-21(17-20)16-19-4-1-2-5-23(19)24/h1-9,17,22H,10-16,18H2,(H,32,35)
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 2.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50343796
PNG
(CHEMBL1774539 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES FC(CCNC(=O)c1cc2ccccc2s1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H24Cl2FN3OS/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)15-17(26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)
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 2.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50525056
PNG
(CHEMBL4525842)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)C=C1 |c:37|
Show InChI InChI=1S/C28H35N5OS/c1-31-26(23-9-4-3-5-10-23)29-30-27(31)35-22-8-17-32-18-13-28(14-19-32)15-20-33(21-16-28)24-11-6-7-12-25(24)34-2/h3-7,9-12,15,20H,8,13-14,16-19,21-22H2,1-2H3
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 3.20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from recombinant human D3 receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation count...

J Med Chem 62: 5132-5147 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00412
BindingDB Entry DOI: 10.7270/Q2Z03CM2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50512795
PNG
(CHEMBL4438037)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccsc3)CC2)c(Cl)c1
Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-7-8-24(23(27)17-22)30-14-12-29(13-15-30)11-2-1-10-28-25(31)20-5-3-19(4-6-20)21-9-16-32-18-21/h3-9,16-18H,1-2,10-15H2,(H,28,31)
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 3.80n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...

Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.020
BindingDB Entry DOI: 10.7270/Q2JQ14CS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50343795
PNG
(CHEMBL1774538 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28FN3O2S/c1-30-21-8-4-3-7-20(21)28-14-12-27(13-15-28)17-19(25)10-11-26-24(29)23-16-18-6-2-5-9-22(18)31-23/h2-9,16,19H,10-15,17H2,1H3,(H,26,29)
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 3.80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50343793
PNG
(CHEMBL1774535 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES FC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2FN4O/c24-18-5-3-7-21(22(18)25)30-12-10-29(11-13-30)15-17(26)8-9-27-23(31)20-14-16-4-1-2-6-19(16)28-20/h1-7,14,17,28H,8-13,15H2,(H,27,31)
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 4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50343797
PNG
(CHEMBL1774540 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H31FN4O3/c1-32-20-7-8-21-18(15-20)16-22(28-21)25(31)27-10-9-19(26)17-29-11-13-30(14-12-29)23-5-3-4-6-24(23)33-2/h3-8,15-16,19,28H,9-14,17H2,1-2H3,(H,27,31)
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 4.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50343785
PNG
(CHEMBL1774386 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES FC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H24Cl2FN3O2/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)15-17(26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)
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 5.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from wild type human dopamine D3 receptor expressed in HEK293 cells

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50250803
PNG
(CHEMBL4083252)
Show SMILES COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
Show InChI InChI=1S/C23H29N5OS/c1-26-22(19-9-4-3-5-10-19)24-25-23(26)30-18-8-13-27-14-16-28(17-15-27)20-11-6-7-12-21(20)29-2/h3-7,9-12H,8,13-18H2,1-2H3
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 6n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method relative to...

J Med Chem 62: 5132-5147 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00412
BindingDB Entry DOI: 10.7270/Q2Z03CM2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50343785
PNG
(CHEMBL1774386 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES FC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H24Cl2FN3O2/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)15-17(26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)
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 6.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50343799
PNG
(CHEMBL1774542 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES FC(CCNC(=O)c1ccc2ccccc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C25H26Cl2FN3O/c26-22-6-3-7-23(24(22)27)31-14-12-30(13-15-31)17-21(28)10-11-29-25(32)20-9-8-18-4-1-2-5-19(18)16-20/h1-9,16,21H,10-15,17H2,(H,29,32)
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 6.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50343788
PNG
(CHEMBL1774384 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES FC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H27Cl2FN4O/c27-22-4-3-6-24(25(22)28)33-16-14-32(15-17-33)18-21(29)11-13-31-26(34)20-9-7-19(8-10-20)23-5-1-2-12-30-23/h1-10,12,21H,11,13-18H2,(H,31,34)
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 6.20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50250803
PNG
(CHEMBL4083252)
Show SMILES COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
Show InChI InChI=1S/C23H29N5OS/c1-26-22(19-9-4-3-5-10-19)24-25-23(26)30-18-8-13-27-14-16-28(17-15-27)20-11-6-7-12-21(20)29-2/h3-7,9-12H,8,13-18H2,1-2H3
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 6.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from recombinant human D3 receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation count...

J Med Chem 62: 5132-5147 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00412
BindingDB Entry DOI: 10.7270/Q2Z03CM2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50250803
PNG
(CHEMBL4083252)
Show SMILES COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
Show InChI InChI=1S/C23H29N5OS/c1-26-22(19-9-4-3-5-10-19)24-25-23(26)30-18-8-13-27-14-16-28(17-15-27)20-11-6-7-12-21(20)29-2/h3-7,9-12H,8,13-18H2,1-2H3
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 6.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method

J Med Chem 60: 9905-9910 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01248
BindingDB Entry DOI: 10.7270/Q21838X7
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
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 7n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 activity in human liver microsomes using midazolam as a substrate by LC/MS analysis

Drug Metab Dispos 41: 814-26 (2013)


Article DOI: 10.1124/dmd.112.048355
BindingDB Entry DOI: 10.7270/Q2NC62XH
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50343791
PNG
(CHEMBL1774533 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES COc1ccc2oc(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H26Cl2FN3O3/c1-32-18-5-6-21-16(13-18)14-22(33-21)24(31)28-8-7-17(27)15-29-9-11-30(12-10-29)20-4-2-3-19(25)23(20)26/h2-6,13-14,17H,7-12,15H2,1H3,(H,28,31)
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 8n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50512793
PNG
(CHEMBL4586531)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C25H29N3OS/c29-25(22-10-8-21(9-11-22)23-12-19-30-20-23)26-13-4-5-14-27-15-17-28(18-16-27)24-6-2-1-3-7-24/h1-3,6-12,19-20H,4-5,13-18H2,(H,26,29)
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 8n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...

Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.020
BindingDB Entry DOI: 10.7270/Q2JQ14CS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50250795
PNG
(CHEMBL4084262)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
Show InChI InChI=1S/C28H37N5OS/c1-31-26(23-9-4-3-5-10-23)29-30-27(31)35-22-8-17-32-18-13-28(14-19-32)15-20-33(21-16-28)24-11-6-7-12-25(24)34-2/h3-7,9-12H,8,13-22H2,1-2H3
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 8n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from recombinant human H1 receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintil...

J Med Chem 62: 5132-5147 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00412
BindingDB Entry DOI: 10.7270/Q2Z03CM2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50512790
PNG
(CHEMBL4446350)
Show SMILES Clc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C25H28ClN3OS/c26-23-4-3-5-24(18-23)29-15-13-28(14-16-29)12-2-1-11-27-25(30)21-8-6-20(7-9-21)22-10-17-31-19-22/h3-10,17-19H,1-2,11-16H2,(H,27,30)
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 8.30n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...

Bioorg Med Chem Lett 29: 2690-2694 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.020
BindingDB Entry DOI: 10.7270/Q2JQ14CS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50343792
PNG
(CHEMBL1774534 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H29FN4O2/c1-31-23-9-5-4-8-22(23)29-14-12-28(13-15-29)17-19(25)10-11-26-24(30)21-16-18-6-2-3-7-20(18)27-21/h2-9,16,19,27H,10-15,17H2,1H3,(H,26,30)
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 9.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50343786
PNG
(CHEMBL1774536 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
Show InChI InChI=1S/C29H32FN3O2/c1-35-28-9-5-4-8-27(28)33-16-14-32(15-17-33)20-24(30)12-13-31-29(34)22-10-11-26-23(19-22)18-21-6-2-3-7-25(21)26/h2-11,19,24H,12-18,20H2,1H3,(H,31,34)
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 10.1n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
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 11n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 activity in human liver microsomes using nifedipine as a substrate by LC/MS analysis

Drug Metab Dispos 41: 814-26 (2013)


Article DOI: 10.1124/dmd.112.048355
BindingDB Entry DOI: 10.7270/Q2NC62XH
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50250795
PNG
(CHEMBL4084262)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
Show InChI InChI=1S/C28H37N5OS/c1-31-26(23-9-4-3-5-10-23)29-30-27(31)35-22-8-17-32-18-13-28(14-19-32)15-20-33(21-16-28)24-11-6-7-12-25(24)34-2/h3-7,9-12H,8,13-22H2,1-2H3
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 12n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from recombinant human D3 receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation count...

J Med Chem 62: 5132-5147 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00412
BindingDB Entry DOI: 10.7270/Q2Z03CM2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50250795
PNG
(CHEMBL4084262)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
Show InChI InChI=1S/C28H37N5OS/c1-31-26(23-9-4-3-5-10-23)29-30-27(31)35-22-8-17-32-18-13-28(14-19-32)15-20-33(21-16-28)24-11-6-7-12-25(24)34-2/h3-7,9-12H,8,13-22H2,1-2H3
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 12n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method

J Med Chem 60: 9905-9910 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01248
BindingDB Entry DOI: 10.7270/Q21838X7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50343790
PNG
(CHEMBL1774532 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccc2oc(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H30FN3O4/c1-31-20-7-8-22-18(15-20)16-24(33-22)25(30)27-10-9-19(26)17-28-11-13-29(14-12-28)21-5-3-4-6-23(21)32-2/h3-8,15-16,19H,9-14,17H2,1-2H3,(H,27,30)
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 13.9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting

J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
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