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Compile Data Set for Download or QSAR

Found 173 hits with Last Name = 'sahlholm' and Initial = 'k'   
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
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))		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))		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(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
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))		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))		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))		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
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
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))		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))		BDBM50512808
PNG
(CHEMBL4438361)
Show SMILES CCCCN1CCN(CC1)c1ccccc1OCCF
Show InChI InChI=1S/C16H25FN2O/c1-2-3-9-18-10-12-19(13-11-18)15-6-4-5-7-16(15)20-14-8-17/h4-7H,2-3,8-14H2,1H3
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 15n/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))		BDBM50250797
PNG
(CHEMBL4062553)
Show SMILES COc1ccccc1N1CCC2(C1)CCN(CCCSc1nnc(-c3ccccc3)n1C)CC2
Show InChI InChI=1S/C27H35N5OS/c1-30-25(22-9-4-3-5-10-22)28-29-26(30)34-20-8-16-31-17-13-27(14-18-31)15-19-32(21-27)23-11-6-7-12-24(23)33-2/h3-7,9-12H,8,13-21H2,1-2H3
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 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))		BDBM50250797
PNG
(CHEMBL4062553)
Show SMILES COc1ccccc1N1CCC2(C1)CCN(CCCSc1nnc(-c3ccccc3)n1C)CC2
Show InChI InChI=1S/C27H35N5OS/c1-30-25(22-9-4-3-5-10-22)28-29-26(30)34-20-8-16-31-17-13-27(14-18-31)15-19-32(21-27)23-11-6-7-12-24(23)33-2/h3-7,9-12H,8,13-21H2,1-2H3
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 20n/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(2) dopamine receptor


(Homo sapiens (Human))		BDBM50039791
PNG
(1-Butyl-4-(2-methoxy-phenyl)-piperazine | CHEMBL26...)
Show SMILES CCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C15H24N2O/c1-3-4-9-16-10-12-17(13-11-16)14-7-5-6-8-15(14)18-2/h5-8H,3-4,9-13H2,1-2H3
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 21n/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(3) dopamine receptor


(Homo sapiens (Human))		BDBM50525051
PNG
(CHEMBL4459784)
Show SMILES COc1cc(F)ccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
Show InChI InChI=1S/C28H36FN5OS/c1-32-26(22-7-4-3-5-8-22)30-31-27(32)36-20-6-15-33-16-11-28(12-17-33)13-18-34(19-14-28)24-10-9-23(29)21-25(24)35-2/h3-5,7-10,21H,6,11-20H2,1-2H3
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 21n/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(2) dopamine receptor


(Homo sapiens (Human))		BDBM50512808
PNG
(CHEMBL4438361)
Show SMILES CCCCN1CCN(CC1)c1ccccc1OCCF
Show InChI InChI=1S/C16H25FN2O/c1-2-3-9-18-10-12-19(13-11-18)15-6-4-5-7-16(15)20-14-8-17/h4-7H,2-3,8-14H2,1H3
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 22n/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(3) dopamine receptor


(Homo sapiens (Human))		BDBM50039791
PNG
(1-Butyl-4-(2-methoxy-phenyl)-piperazine | CHEMBL26...)
Show SMILES CCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C15H24N2O/c1-3-4-9-16-10-12-17(13-11-16)14-7-5-6-8-15(14)18-2/h5-8H,3-4,9-13H2,1-2H3
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 24n/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))		BDBM50250799
PNG
(CHEMBL4076516)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)C2)C1
Show InChI InChI=1S/C26H33N5OS/c1-29-24(21-9-4-3-5-10-21)27-28-25(29)33-18-8-15-30-16-13-26(19-30)14-17-31(20-26)22-11-6-7-12-23(22)32-2/h3-7,9-12H,8,13-20H2,1-2H3
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 24n/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))		BDBM50525034
PNG
(CHEMBL4549664)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccc(cc4)-c4ncco4)n3C)CC2)CC1
Show InChI InChI=1S/C31H38N6O2S/c1-35-28(24-8-10-25(11-9-24)29-32-16-22-39-29)33-34-30(35)40-23-5-17-36-18-12-31(13-19-36)14-20-37(21-15-31)26-6-3-4-7-27(26)38-2/h3-4,6-11,16,22H,5,12-15,17-21,23H2,1-2H3
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 25n/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))		BDBM50250807
PNG
(CHEMBL4073927)
Show SMILES Cn1c(SCCCN2CCC3(CC2)CCN(CC3)c2ccc(F)cc2)nnc1-c1ccccc1
Show InChI InChI=1S/C27H34FN5S/c1-31-25(22-6-3-2-4-7-22)29-30-26(31)34-21-5-16-32-17-12-27(13-18-32)14-19-33(20-15-27)24-10-8-23(28)9-11-24/h2-4,6-11H,5,12-21H2,1H3
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 26n/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))		BDBM50525057
PNG
(CHEMBL4534961)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4F)n3C)CC2)CC1
Show InChI InChI=1S/C28H36FN5OS/c1-32-26(22-8-3-4-9-23(22)29)30-31-27(32)36-21-7-16-33-17-12-28(13-18-33)14-19-34(20-15-28)24-10-5-6-11-25(24)35-2/h3-6,8-11H,7,12-21H2,1-2H3
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 26n/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))		BDBM50250807
PNG
(CHEMBL4073927)
Show SMILES Cn1c(SCCCN2CCC3(CC2)CCN(CC3)c2ccc(F)cc2)nnc1-c1ccccc1
Show InChI InChI=1S/C27H34FN5S/c1-31-25(22-6-3-2-4-7-22)29-30-26(31)34-21-5-16-32-17-12-27(13-18-32)14-19-33(20-15-27)24-10-8-23(28)9-11-24/h2-4,6-11H,5,12-21H2,1H3
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 26n/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))		BDBM50525043
PNG
(CHEMBL4476163)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)C2)CC1
Show InChI InChI=1S/C27H35N5OS/c1-30-25(22-9-4-3-5-10-22)28-29-26(30)34-20-8-16-31-17-13-27(21-31)14-18-32(19-15-27)23-11-6-7-12-24(23)33-2/h3-7,9-12H,8,13-21H2,1-2H3
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 28n/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))		BDBM50525040
PNG
(CHEMBL4471201)
Show SMILES Cn1c(SCCCN2CCC3(CC2)CCN(CC3)c2ccccc2OCCF)nnc1-c1ccccc1
Show InChI InChI=1S/C29H38FN5OS/c1-33-27(24-8-3-2-4-9-24)31-32-28(33)37-23-7-17-34-18-12-29(13-19-34)14-20-35(21-15-29)25-10-5-6-11-26(25)36-22-16-30/h2-6,8-11H,7,12-23H2,1H3
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 33n/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))		BDBM50525036
PNG
(CHEMBL4438524)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc([nH]3)-c3ccccc3)CC2)CC1
Show InChI InChI=1S/C27H35N5OS/c1-33-24-11-6-5-10-23(24)32-19-14-27(15-20-32)12-17-31(18-13-27)16-7-21-34-26-28-25(29-30-26)22-8-3-2-4-9-22/h2-6,8-11H,7,12-21H2,1H3,(H,28,29,30)
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 33n/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))		BDBM50525023
PNG
(CHEMBL4535104)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccc(F)cc4)n3C)CC2)CC1
Show InChI InChI=1S/C28H36FN5OS/c1-32-26(22-8-10-23(29)11-9-22)30-31-27(32)36-21-5-16-33-17-12-28(13-18-33)14-19-34(20-15-28)24-6-3-4-7-25(24)35-2/h3-4,6-11H,5,12-21H2,1-2H3
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 40n/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
Histamine H1 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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 40n/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
5-hydroxytryptamine receptor 2B


(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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 42n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from recombinant human 5HT2B receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillati...

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))		BDBM50525024
PNG
(CHEMBL4475482)
Show SMILES CCOc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
Show InChI InChI=1S/C29H39N5OS/c1-3-35-26-13-8-7-12-25(26)34-21-16-29(17-22-34)14-19-33(20-15-29)18-9-23-36-28-31-30-27(32(28)2)24-10-5-4-6-11-24/h4-8,10-13H,3,9,14-23H2,1-2H3
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 45n/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
Alpha-1A adrenergic 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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 49n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from recombinant human alpha1A adrenergic receptor measured after 90 mins by microbeta scintillation counting method

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))		BDBM50525025
PNG
(CHEMBL4554630)
Show SMILES CCn1c(SCCCN2CCC3(CC2)CCN(CC3)c2ccccc2OC)nnc1-c1ccccc1
Show InChI InChI=1S/C29H39N5OS/c1-3-34-27(24-10-5-4-6-11-24)30-31-28(34)36-23-9-18-32-19-14-29(15-20-32)16-21-33(22-17-29)25-12-7-8-13-26(25)35-2/h4-8,10-13H,3,9,14-23H2,1-2H3
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 49n/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
Muscarinic acetylcholine receptor M2


(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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 52n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M2 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting m...

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))		BDBM50525035
PNG
(CHEMBL4451865)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc(C4CCCCC4)n3C)CC2)CC1
Show InChI InChI=1S/C28H43N5OS/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/h6-7,11-12,23H,3-5,8-10,13-22H2,1-2H3
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 57n/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))		BDBM50525050
PNG
(CHEMBL4466055)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
Show InChI InChI=1S/C29H39N5OS/c1-32-27(24-10-4-3-5-11-24)30-31-28(32)36-23-9-8-18-33-19-14-29(15-20-33)16-21-34(22-17-29)25-12-6-7-13-26(25)35-2/h3-7,10-13H,8-9,14-23H2,1-2H3
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 59n/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))		BDBM50525044
PNG
(CHEMBL4528652)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCCNC(=O)c3ccc(cc3)N(C)C)CC2)CC1
Show InChI InChI=1S/C29H42N4O2/c1-31(2)25-12-10-24(11-13-25)28(34)30-18-6-7-19-32-20-14-29(15-21-32)16-22-33(23-17-29)26-8-4-5-9-27(26)35-3/h4-5,8-13H,6-7,14-23H2,1-3H3,(H,30,34)
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 62n/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))		BDBM50525053
PNG
(CHEMBL4590969)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4OC)n3C)CC2)CC1
Show InChI InChI=1S/C29H39N5O2S/c1-32-27(23-9-4-6-11-25(23)35-2)30-31-28(32)37-22-8-17-33-18-13-29(14-19-33)15-20-34(21-16-29)24-10-5-7-12-26(24)36-3/h4-7,9-12H,8,13-22H2,1-3H3
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 63n/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))		BDBM50525054
PNG
(CHEMBL4552459)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3N)CC2)CC1
Show InChI InChI=1S/C27H36N6OS/c1-34-24-11-6-5-10-23(24)32-19-14-27(15-20-32)12-17-31(18-13-27)16-7-21-35-26-30-29-25(33(26)28)22-8-3-2-4-9-22/h2-6,8-11H,7,12-21,28H2,1H3
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 75n/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))		BDBM50250804
PNG
(CHEMBL4101993)
Show SMILES Cn1c(SCCCN2CCC3(CC2)CCN(CC3)c2cccc(Cl)c2Cl)nnc1-c1ccccc1
Show InChI InChI=1S/C27H33Cl2N5S/c1-32-25(21-7-3-2-4-8-21)30-31-26(32)35-20-6-15-33-16-11-27(12-17-33)13-18-34(19-14-27)23-10-5-9-22(28)24(23)29/h2-5,7-10H,6,11-20H2,1H3
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 82n/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))		BDBM50525038
PNG
(CHEMBL4514100)
Show SMILES COc1ccccc1N1CCC2(CCN(CCSc3nnc(-c4ccccc4)n3C)CC2)CC1
Show InChI InChI=1S/C27H35N5OS/c1-30-25(22-8-4-3-5-9-22)28-29-26(30)34-21-20-31-16-12-27(13-17-31)14-18-32(19-15-27)23-10-6-7-11-24(23)33-2/h3-11H,12-21H2,1-2H3
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 90n/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))		BDBM50525028
PNG
(CHEMBL4516504)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCCNC(=O)c3ccc(cc3)-c3ccsc3)CC2)CC1
Show InChI InChI=1S/C31H39N3O2S/c1-36-29-7-3-2-6-28(29)34-21-15-31(16-22-34)13-19-33(20-14-31)18-5-4-17-32-30(35)26-10-8-25(9-11-26)27-12-23-37-24-27/h2-3,6-12,23-24H,4-5,13-22H2,1H3,(H,32,35)
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 93n/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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 94n/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
Alpha-1B adrenergic 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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 94n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from recombinant human alpha1B adrenergic receptor transiently expressed in HEKT cells measured after 90 mins by microb...

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))		BDBM50250809
PNG
(CHEMBL4100699)
Show SMILES COc1ccc(cc1)N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
Show InChI InChI=1S/C28H37N5OS/c1-31-26(23-7-4-3-5-8-23)29-30-27(31)35-22-6-17-32-18-13-28(14-19-32)15-20-33(21-16-28)24-9-11-25(34-2)12-10-24/h3-5,7-12H,6,13-22H2,1-2H3
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 98n/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))		BDBM50250809
PNG
(CHEMBL4100699)
Show SMILES COc1ccc(cc1)N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
Show InChI InChI=1S/C28H37N5OS/c1-31-26(23-7-4-3-5-8-23)29-30-27(31)35-22-6-17-32-18-13-28(14-19-32)15-20-33(21-16-28)24-9-11-25(34-2)12-10-24/h3-5,7-12H,6,13-22H2,1-2H3
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 98n/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))		BDBM50525033
PNG
(CHEMBL4541692)
Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccc(cc4)-c4ccsc4)n3C)CC2)CC1
Show InChI InChI=1S/C32H39N5OS2/c1-35-30(26-10-8-25(9-11-26)27-12-23-39-24-27)33-34-31(35)40-22-5-17-36-18-13-32(14-19-36)15-20-37(21-16-32)28-6-3-4-7-29(28)38-2/h3-4,6-12,23-24H,5,13-22H2,1-2H3
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 101n/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
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