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Compile Data Set for Download or QSAR

Found 8809 hits with Last Name = 'berger' and Initial = 'm'   
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


(Homo sapiens (Human))		BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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 0.110n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay

J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50533609
PNG
(CHEMBL4544583)
Show SMILES CCc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C25H31ClN4O/c1-2-19-9-7-11-23(24(19)26)30-16-14-29(15-17-30)13-6-5-12-27-25(31)22-18-20-8-3-4-10-21(20)28-22/h3-4,7-11,18,28H,2,5-6,12-17H2,1H3,(H,27,31)
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 0.142n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation c...

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50533620
PNG
(CHEMBL4476699)
Show SMILES CCc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H30ClN3O2/c1-2-19-9-7-10-21(24(19)26)29-16-14-28(15-17-29)13-6-5-12-27-25(30)23-18-20-8-3-4-11-22(20)31-23/h3-4,7-11,18H,2,5-6,12-17H2,1H3,(H,27,30)
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 0.153n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation c...

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50266969
PNG
(CHEMBL4093656)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cnc4ccccc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H26Cl2N4O/c25-20-7-5-9-22(23(20)26)30-14-12-29(13-15-30)11-4-3-10-27-24(31)19-16-18-6-1-2-8-21(18)28-17-19/h1-2,5-9,16-17H,3-4,10-15H2,(H,27,31)
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 0.172n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by MicroBeta microplate counting method

J Med Chem 60: 580-593 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01148
BindingDB Entry DOI: 10.7270/Q2PV6NVS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50533625
PNG
(CHEMBL4552939)
Show SMILES CCc1cccc(N2CCN(CCC(O)CNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)11-10-20(31)17-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)
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 0.200n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation c...

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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 0.260n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay

J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50533617
PNG
(CHEMBL4555307)
Show SMILES CCc1cccc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)c1Cl
Show InChI InChI=1S/C24H30ClN5O/c1-2-19-8-7-9-21(23(19)25)29-16-14-28(15-17-29)12-6-4-11-26-24(31)20-18-30-13-5-3-10-22(30)27-20/h3,5,7-10,13,18H,2,4,6,11-12,14-17H2,1H3,(H,26,31)
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 0.331n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation c...

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50533621
PNG
(CHEMBL4521947)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C26H33ClN4O2/c1-3-19-16-21(27)25(33-2)24(17-19)31-14-12-30(13-15-31)11-7-6-10-28-26(32)23-18-20-8-4-5-9-22(20)29-23/h4-5,8-9,16-18,29H,3,6-7,10-15H2,1-2H3,(H,28,32)
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 0.341n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation c...

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50530577
PNG
(CHEMBL4451683 | US11337971, Compound (+-)-19)
Show SMILES CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)
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 0.362n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation c...

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50533612
PNG
(CHEMBL4471669)
Show SMILES CCCCN1CCN(CC1)c1cccc(CC)c1Cl
Show InChI InChI=1S/C16H25ClN2/c1-3-5-9-18-10-12-19(13-11-18)15-8-6-7-14(4-2)16(15)17/h6-8H,3-5,9-13H2,1-2H3
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 0.363n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation c...

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50267216
PNG
(CHEMBL4077536)
Show SMILES Clc1cccc(N2CCN(C[C@@H]3C[C@H]3CNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C24H26Cl2N4O/c25-19-5-3-7-22(23(19)26)30-10-8-29(9-11-30)15-18-12-17(18)14-27-24(31)21-13-16-4-1-2-6-20(16)28-21/h1-7,13,17-18,28H,8-12,14-15H2,(H,27,31)/t17-,18-/m0/s1
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 0.450n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting analysis

J Med Chem 60: 1478-1494 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01688
BindingDB Entry DOI: 10.7270/Q2NV9MRV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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 0.480n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...

J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50533624
PNG
(CHEMBL4461461)
Show SMILES CCc1cccc(N2CCN(CCCCNC(=O)c3nc(C)c[nH]3)CC2)c1Cl
Show InChI InChI=1S/C21H30ClN5O/c1-3-17-7-6-8-18(19(17)22)27-13-11-26(12-14-27)10-5-4-9-23-21(28)20-24-15-16(2)25-20/h6-8,15H,3-5,9-14H2,1-2H3,(H,23,28)(H,24,25)
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 0.621n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation c...

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50237347
PNG
(CHEMBL4093477)
Show SMILES CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)[C@@H]1Cc2cccc3n(CCC)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C29H37N5O2/c1-3-15-32(17-8-7-14-30-28(35)25-19-21-10-5-6-12-24(21)31-25)23-18-22-11-9-13-26-27(22)34(20-23)29(36)33(26)16-4-2/h5-6,9-13,19,23,31H,3-4,7-8,14-18,20H2,1-2H3,(H,30,35)/t23-/m1/s1
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 0.690n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...

J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50267224
PNG
(CHEMBL4089939)
Show SMILES O=C(NCC[C@@H]1C[C@H]1CN1CCc2ccc(cc2C1)C#N)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C25H26N4O/c26-14-17-5-6-18-8-10-29(15-21(18)11-17)16-22-12-19(22)7-9-27-25(30)24-13-20-3-1-2-4-23(20)28-24/h1-6,11,13,19,22,28H,7-10,12,15-16H2,(H,27,30)/t19-,22+/m1/s1
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 0.890n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting analysis

J Med Chem 60: 1478-1494 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01688
BindingDB Entry DOI: 10.7270/Q2NV9MRV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50533615
PNG
(CHEMBL4577414)
Show SMILES CCc1cccc(N2CCN(CCCCNC(=O)c3nc4sccn4c3C)CC2)c1Cl
Show InChI InChI=1S/C23H30ClN5OS/c1-3-18-7-6-8-19(20(18)24)28-13-11-27(12-14-28)10-5-4-9-25-22(30)21-17(2)29-15-16-31-23(29)26-21/h6-8,15-16H,3-5,9-14H2,1-2H3,(H,25,30)
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 0.941n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation c...

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50533619
PNG
(CHEMBL4517102)
Show SMILES CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H30ClN3O3/c1-2-18-7-5-8-21(24(18)26)29-14-12-28(13-15-29)17-20(30)10-11-27-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20,30H,2,10-15,17H2,1H3,(H,27,31)
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 0.985n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation c...

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50533623
PNG
(CHEMBL4543524)
Show SMILES CCc1c[nH]c(n1)C(=O)NCCCCN1CCN(CC1)c1cccc(CC)c1Cl
Show InChI InChI=1S/C22H32ClN5O/c1-3-17-8-7-9-19(20(17)23)28-14-12-27(13-15-28)11-6-5-10-24-22(29)21-25-16-18(4-2)26-21/h7-9,16H,3-6,10-15H2,1-2H3,(H,24,29)(H,25,26)
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 1.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation c...

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50342720
PNG
((R)-N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-3-...)
Show SMILES O[C@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by MicroBeta microplate counting method

J Med Chem 60: 580-593 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01148
BindingDB Entry DOI: 10.7270/Q2PV6NVS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50533610
PNG
(CHEMBL4564507)
Show SMILES CCc1cccc(N2CCN(C\C=C\CNC(=O)c3nc(C)c[nH]3)CC2)c1Cl
Show InChI InChI=1S/C21H28ClN5O/c1-3-17-7-6-8-18(19(17)22)27-13-11-26(12-14-27)10-5-4-9-23-21(28)20-24-15-16(2)25-20/h4-8,15H,3,9-14H2,1-2H3,(H,23,28)(H,24,25)/b5-4+
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 1.30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation c...

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50122048
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2,3-dichloro-ph...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-5-9-21(22(18)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)20-16-17-6-1-2-8-19(17)27-20/h1-2,5-9,16,27H,3-4,10-15H2,(H,26,30)
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 1.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by MicroBeta microplate counting method

J Med Chem 60: 580-593 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01148
BindingDB Entry DOI: 10.7270/Q2PV6NVS
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50200045
PNG
(2-(4-phenylpiperidin-1-yl)-N-(m-tolyl)acetamide | ...)
Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C20H24N2O/c1-16-6-5-9-19(14-16)21-20(23)15-22-12-10-18(11-13-22)17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3,(H,21,23)
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 1.40n/an/an/an/an/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-(+)-7-OH-DPAT from human D4.4 receptor expressed in HEK293 cell membranes measured after 90 mins by scintillation counting me...

J Med Chem 62: 3722-3740 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00231
BindingDB Entry DOI: 10.7270/Q20C505J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50267217
PNG
(CHEMBL4083903)
Show SMILES Clc1cccc(N2CCN(C[C@@H]3C[C@H]3CNC(=O)c3ccnc4ccccc34)CC2)c1Cl |r|
Show InChI InChI=1S/C25H26Cl2N4O/c26-21-5-3-7-23(24(21)27)31-12-10-30(11-13-31)16-18-14-17(18)15-29-25(32)20-8-9-28-22-6-2-1-4-19(20)22/h1-9,17-18H,10-16H2,(H,29,32)/t17-,18-/m0/s1
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 1.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting analysis

J Med Chem 60: 1478-1494 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01688
BindingDB Entry DOI: 10.7270/Q2NV9MRV
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50523474
PNG
(CHEMBL4473652)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2cccc3ccccc23)c1
Show InChI InChI=1S/C23H25N3O/c1-18-6-4-9-20(16-18)24-23(27)17-25-12-14-26(15-13-25)22-11-5-8-19-7-2-3-10-21(19)22/h2-11,16H,12-15,17H2,1H3,(H,24,27)
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 1.70n/an/an/an/an/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-(+)-7-OH-DPAT from human D4.4 receptor expressed in HEK293 cell membranes measured after 90 mins by scintillation counting me...

J Med Chem 62: 3722-3740 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00231
BindingDB Entry DOI: 10.7270/Q20C505J
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50523487
PNG
(CHEMBL4448320)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccccn2)c1
Show InChI InChI=1S/C18H22N4O/c1-15-5-4-6-16(13-15)20-18(23)14-21-9-11-22(12-10-21)17-7-2-3-8-19-17/h2-8,13H,9-12,14H2,1H3,(H,20,23)
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 1.90n/an/an/an/an/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-(+)-7-OH-DPAT from human D4.4 receptor expressed in HEK293 cell membranes measured after 90 mins by scintillation counting me...

J Med Chem 62: 3722-3740 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00231
BindingDB Entry DOI: 10.7270/Q20C505J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50394925
PNG
(CHEMBL2165677)
Show SMILES CCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H20Cl2N2/c1-2-3-7-17-8-10-18(11-9-17)13-6-4-5-12(15)14(13)16/h4-6H,2-3,7-11H2,1H3
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 1.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by MicroBeta microplate counting method

J Med Chem 60: 580-593 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01148
BindingDB Entry DOI: 10.7270/Q2PV6NVS
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50523476
PNG
(CHEMBL4442548)
Show SMILES CCc1cccc(NC(=O)CN2CCN(CC2)c2ccccn2)c1
Show InChI InChI=1S/C19H24N4O/c1-2-16-6-5-7-17(14-16)21-19(24)15-22-10-12-23(13-11-22)18-8-3-4-9-20-18/h3-9,14H,2,10-13,15H2,1H3,(H,21,24)
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 2.20n/an/an/an/an/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-(+)-7-OH-DPAT from human D4.4 receptor expressed in HEK293 cell membranes measured after 90 mins by scintillation counting me...

J Med Chem 62: 3722-3740 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00231
BindingDB Entry DOI: 10.7270/Q20C505J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50061885
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-butyl-8-aza-bi...)
Show SMILES CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:12:10:4:6.7|
Show InChI InChI=1S/C24H29F2NO/c1-2-3-14-27-21-12-13-22(27)16-23(15-21)28-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,21-24H,2-3,12-16H2,1H3
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 2.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in whole-guinea pig brain minus cerebellum homogenates incubated for 120 mins by radioligand...

J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50533620
PNG
(CHEMBL4476699)
Show SMILES CCc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H30ClN3O2/c1-2-19-9-7-10-21(24(19)26)29-16-14-28(15-17-29)13-6-5-12-27-25(30)23-18-20-8-3-4-11-22(20)31-23/h3-4,7-11,18H,2,5-6,12-17H2,1H3,(H,27,30)
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 2.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5-HT2A receptor (unknown origin)

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50237356
PNG
(CHEMBL4078379)
Show SMILES CCCn1c2cccc3C[C@H](Cn(c23)c1=O)N(C)CCCCNC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C27H33N5O2/c1-3-14-31-24-12-8-10-20-16-21(18-32(25(20)24)27(31)34)30(2)15-7-6-13-28-26(33)23-17-19-9-4-5-11-22(19)29-23/h4-5,8-12,17,21,29H,3,6-7,13-16,18H2,1-2H3,(H,28,33)/t21-/m1/s1
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 2.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase of virulent strain RH (value indicates Non ...

J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199786
PNG
(CHEMBL3918282)
Show SMILES OC(CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
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 2.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay

J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199800
PNG
(CHEMBL3979590 | US10913711, Compound 9g | US115550...)
Show SMILES OC(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2OS/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2
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 2.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay

J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50267211
PNG
(CHEMBL4068843)
Show SMILES O=C(NCC[C@@H]1C[C@H]1CN1CCc2ccc(cc2C1)C#N)c1cc2cccnc2[nH]1 |r|
Show InChI InChI=1S/C24H25N5O/c25-13-16-3-4-17-6-9-29(14-20(17)10-16)15-21-11-18(21)5-8-27-24(30)22-12-19-2-1-7-26-23(19)28-22/h1-4,7,10,12,18,21H,5-6,8-9,11,14-15H2,(H,26,28)(H,27,30)/t18-,21+/m1/s1
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 2.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting analysis

J Med Chem 60: 1478-1494 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01688
BindingDB Entry DOI: 10.7270/Q2NV9MRV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199798
PNG
(CHEMBL3941865)
Show SMILES [O-][S+](CCN1CCN(CCCc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2OS/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)34(33)22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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 2.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay

J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50533612
PNG
(CHEMBL4471669)
Show SMILES CCCCN1CCN(CC1)c1cccc(CC)c1Cl
Show InChI InChI=1S/C16H25ClN2/c1-3-5-9-18-10-12-19(13-11-18)15-8-6-7-14(4-2)16(15)17/h6-8H,3-5,9-13H2,1-2H3
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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 [3H]N-methylspiperone from human dopamine D2L receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation ...

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))		BDBM22473
PNG
(2-(hexahydro-2,5-methanopentalen-3a(1H)-ylamino)-1...)
Show SMILES O=C1N=C(NC23CC4CC2CC(C3)C4)SC11CCCC1 |t:2,TLB:12:11:5.6:8,4:5:8:11.10.13,4:5:10:7.8.13,THB:6:5:10:7.8.13,6:7:5.12:10,12:5:8:11.10.13|
Show InChI InChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19)
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 3 -48.2n/an/an/an/an/a7.222



Biovitrum AB



Assay Description
The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...

J Med Chem 51: 2933-43 (2008)


Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8
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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 3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...

J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50533618
PNG
(CHEMBL4459533)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C26H32ClN3O3/c1-3-19-16-21(27)25(32-2)22(17-19)30-14-12-29(13-15-30)11-7-6-10-28-26(31)24-18-20-8-4-5-9-23(20)33-24/h4-5,8-9,16-18H,3,6-7,10-15H2,1-2H3,(H,28,31)
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 3.20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation c...

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50533622
PNG
(CHEMBL4469777)
Show SMILES CCc1cccc(N2CCN(C)CC2)c1Cl
Show InChI InChI=1S/C13H19ClN2/c1-3-11-5-4-6-12(13(11)14)16-9-7-15(2)8-10-16/h4-6H,3,7-10H2,1-2H3
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 3.20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5-HT2A receptor (unknown origin)

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50533619
PNG
(CHEMBL4517102)
Show SMILES CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H30ClN3O3/c1-2-18-7-5-8-21(24(18)26)29-14-12-28(13-15-29)17-20(30)10-11-27-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20,30H,2,10-15,17H2,1H3,(H,27,31)
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 3.20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5-HT2A receptor (unknown origin)

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199791
PNG
(CHEMBL3894678)
Show SMILES [O-][S+](CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H34N2OS/c31-32(28(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-23-30-21-19-29(20-22-30)18-10-13-25-11-4-1-5-12-25/h1-9,11-12,14-17,28H,10,13,18-24H2
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 3.20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay

J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199809
PNG
(CHEMBL3890247)
Show SMILES OC(CN1CCN(CC[S+]([O-])C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2O2S/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-33(32)28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2
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 3.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay

J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50394925
PNG
(CHEMBL2165677)
Show SMILES CCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H20Cl2N2/c1-2-3-7-17-8-10-18(11-9-17)13-6-4-5-12(15)14(13)16/h4-6H,2-3,7-11H2,1H3
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 3.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by MicroBeta microplate counting method

J Med Chem 60: 580-593 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01148
BindingDB Entry DOI: 10.7270/Q2PV6NVS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50199854
PNG
(CHEMBL3952924 | US10913711, Compound 7a | US115550...)
Show SMILES C(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2S/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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 3.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay

J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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 3.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...

J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50409213
PNG
(CHEMBL2113347)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3C2)C#N)CC1)c1cc2ccccc2[nH]1 |r,wU:6.6,wD:3.2,(-9.62,6,;-10.68,5.39,;-10.69,3.85,;-9.35,3.07,;-9.35,1.53,;-8.02,.76,;-6.69,1.53,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;4,1.54,;5.06,2.16,;-6.69,3.07,;-8.02,3.84,;-12.02,6.16,;-13.41,5.53,;-14.43,6.67,;-15.97,6.67,;-16.73,8.03,;-15.95,9.36,;-14.39,9.35,;-13.65,7.99,;-12.15,7.66,)|
Show InChI InChI=1S/C27H30N4O/c28-17-20-5-8-21-12-14-31(18-23(21)15-20)13-11-19-6-9-24(10-7-19)29-27(32)26-16-22-3-1-2-4-25(22)30-26/h1-5,8,15-16,19,24,30H,6-7,9-14,18H2,(H,29,32)/t19-,24-
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 3.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting analysis

J Med Chem 60: 1478-1494 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01688
BindingDB Entry DOI: 10.7270/Q2NV9MRV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50533622
PNG
(CHEMBL4469777)
Show SMILES CCc1cccc(N2CCN(C)CC2)c1Cl
Show InChI InChI=1S/C13H19ClN2/c1-3-11-5-4-6-12(13(11)14)16-9-7-15(2)8-10-16/h4-6H,3,7-10H2,1-2H3
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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]DOI from 5-HT2C receptor (unknown origin)

J Med Chem 59: 7634-50 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00860
BindingDB Entry DOI: 10.7270/Q2NS0ZDD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50199790
PNG
(CHEMBL3916231 | US10913711, Compound 9d | US115550...)
Show SMILES CC(O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H28F2N2OS/c1-17(27)16-26-12-10-25(11-13-26)14-15-28-22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3
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 4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in whole-guinea pig brain minus cerebellum homogenates incubated for 120 mins by radioligand...

J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50200037
PNG
(2-(3',4',-5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1...)
Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1
Show InChI InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)
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 4n/an/an/an/an/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-(+)-7-OH-DPAT from human D4.4 receptor expressed in HEK293 cell membranes measured after 90 mins by scintillation counting me...

J Med Chem 62: 3722-3740 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00231
BindingDB Entry DOI: 10.7270/Q20C505J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50266973
PNG
(CHEMBL4081424)
Show SMILES O[C@H](CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C24H26Cl2N4O2/c25-20-5-3-7-22(23(20)26)30-12-10-29(11-13-30)16-19(31)8-9-27-24(32)18-14-17-4-1-2-6-21(17)28-15-18/h1-7,14-15,19,31H,8-13,16H2,(H,27,32)/t19-/m1/s1
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 4.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by MicroBeta microplate counting method

J Med Chem 60: 580-593 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01148
BindingDB Entry DOI: 10.7270/Q2PV6NVS
More data for this
Ligand-Target Pair
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