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Compile Data Set for Download or QSAR

Found 384 hits with Last Name = 'boateng' and Initial = 'ca'   
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)		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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 0.107n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
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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 0.117n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation co...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50104923
PNG
(CHEMBL3597643)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C27H30N4O/c32-27(25-20-22-9-2-4-12-24(22)29-25)28-14-5-6-15-30-16-18-31(19-17-30)26-13-7-10-21-8-1-3-11-23(21)26/h1-4,7-13,20,29H,5-6,14-19H2,(H,28,32)
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 0.118n/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 (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50105009
PNG
(CHEMBL3597645)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2s1
Show InChI InChI=1S/C27H29N3OS/c31-27(26-20-22-9-2-4-13-25(22)32-26)28-14-5-6-15-29-16-18-30(19-17-29)24-12-7-10-21-8-1-3-11-23(21)24/h1-4,7-13,20H,5-6,14-19H2,(H,28,31)
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 0.128n/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 (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
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))		BDBM50104998
PNG
(CHEMBL3597644)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C28H32N4O2/c1-34-23-11-12-25-22(19-23)20-26(30-25)28(33)29-13-4-5-14-31-15-17-32(18-16-31)27-10-6-8-21-7-2-3-9-24(21)27/h2-3,6-12,19-20,30H,4-5,13-18H2,1H3,(H,29,33)
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 0.173n/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 (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50105004
PNG
(CHEMBL3596212)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2o1
Show InChI InChI=1S/C27H29N3O2/c31-27(26-20-22-9-2-4-13-25(22)32-26)28-14-5-6-15-29-16-18-30(19-17-29)24-12-7-10-21-8-1-3-11-23(21)24/h1-4,7-13,20H,5-6,14-19H2,(H,28,31)
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 0.244n/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 (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50129425
PNG
(5-Fluoro-1H-indole-2-carboxylic acid {4-[4-(2,3-di...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2FN4O/c24-18-4-3-5-21(22(18)25)30-12-10-29(11-13-30)9-2-1-8-27-23(31)20-15-16-14-17(26)6-7-19(16)28-20/h3-7,14-15,28H,1-2,8-13H2,(H,27,31)
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 0.280n/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 (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50573367
PNG
(CHEMBL4865434)
Show SMILES CCCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC |r|
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 0.281n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50104925
PNG
(CHEMBL3597635)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cnc2ccccc2c1
Show InChI InChI=1S/C28H30N4O/c33-28(24-20-23-9-2-4-12-26(23)30-21-24)29-14-5-6-15-31-16-18-32(19-17-31)27-13-7-10-22-8-1-3-11-25(22)27/h1-4,7-13,20-21H,5-6,14-19H2,(H,29,33)
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 0.330n/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 5HT2A receptor (unknown origin)

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50104925
PNG
(CHEMBL3597635)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cnc2ccccc2c1
Show InChI InChI=1S/C28H30N4O/c33-28(24-20-23-9-2-4-12-26(23)30-21-24)29-14-5-6-15-31-16-18-32(19-17-31)27-13-7-10-22-8-1-3-11-25(22)27/h1-4,7-13,20-21H,5-6,14-19H2,(H,29,33)
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 0.351n/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 (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50104927
PNG
(CHEMBL3597641)
Show SMILES COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H29ClN4O2/c1-31-23-19(25)8-6-10-22(23)29-15-13-28(14-16-29)12-5-4-11-26-24(30)21-17-18-7-2-3-9-20(18)27-21/h2-3,6-10,17,27H,4-5,11-16H2,1H3,(H,26,30)
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 0.392n/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 (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50573366
PNG
(CHEMBL4861573)
Show SMILES Cl.CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2)c1O |r|
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 0.431n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50573380
PNG
(CHEMBL4873313)
Show SMILES CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@H](CN2)OCCCCOc2ccc3CCC(=O)Nc3c2)c1O |r|
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 0.436n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50573381
PNG
(CHEMBL4864320)
Show SMILES CCCN1C[C@@H](C[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC)OCCCCOc1ccc2CCC(=O)Nc2c1 |r|
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 0.444n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50573383
PNG
(CHEMBL4850300)
Show SMILES CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@H](CN2)OCCCCNC(=O)c2cc3ccccc3o2)c1O |r|
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 0.493n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50573385
PNG
(CHEMBL4846561)
Show SMILES CCN1C[C@@H](C[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC)OCCCCNC(=O)c1cc2ccccc2o1 |r|
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 0.499n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
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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 0.530n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50105140
PNG
(CHEMBL3597639)
Show SMILES Fc1ccc2ncc(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H25Cl2FN4O/c25-20-4-3-5-22(23(20)26)31-12-10-30(11-13-31)9-2-1-8-28-24(32)18-14-17-15-19(27)6-7-21(17)29-16-18/h3-7,14-16H,1-2,8-13H2,(H,28,32)
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 0.570n/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 (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
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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 0.687n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation co...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50573367
PNG
(CHEMBL4865434)
Show SMILES CCCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC |r|
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 0.688n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation co...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50573382
PNG
(CHEMBL4860478)
Show SMILES CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@H](CN2)OCCCCNC(=O)c2cc3ccccc3[nH]2)c1O |r|
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 0.797n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50573388
PNG
(CHEMBL4847432)
Show SMILES CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@H](CN2)OCCCCO)c1O |r|
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 0.815n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50104928
PNG
(CHEMBL3597642)
Show SMILES COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H28ClN3O3/c1-30-23-19(25)8-6-9-20(23)28-15-13-27(14-16-28)12-5-4-11-26-24(29)22-17-18-7-2-3-10-21(18)31-22/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,26,29)
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 0.907n/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 (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50573385
PNG
(CHEMBL4846561)
Show SMILES CCN1C[C@@H](C[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC)OCCCCNC(=O)c1cc2ccccc2o1 |r|
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 0.947n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation co...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50573387
PNG
(CHEMBL4856983)
Show SMILES CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@H](CN2)OCCCCOCc2ccccc2)c1O |r|
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 1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
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)		BDBM50573384
PNG
(CHEMBL4853568)
Show SMILES CCN1C[C@@H](C[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC)OCCCCNC(=O)c1cc2ccccc2[nH]1 |r|
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 1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
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(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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50104922
PNG
(CHEMBL3597637)
Show SMILES COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C25H29ClN4O2/c1-32-24-21(26)8-6-10-23(24)30-15-13-29(14-16-30)12-5-4-11-27-25(31)20-17-19-7-2-3-9-22(19)28-18-20/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,27,31)
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 1.70n/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 5HT2A receptor (unknown origin)

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50378012
PNG
(CHEMBL1627310)
Show SMILES OC(CCNC(=O)c1cc2cc(F)ccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2FN4O2/c24-18-2-1-3-21(22(18)25)30-10-8-29(9-11-30)14-17(31)6-7-27-23(32)20-13-15-12-16(26)4-5-19(15)28-20/h1-5,12-13,17,28,31H,6-11,14H2,(H,27,32)
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 1.80n/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 (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50573380
PNG
(CHEMBL4873313)
Show SMILES CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@H](CN2)OCCCCOc2ccc3CCC(=O)Nc3c2)c1O |r|
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 1.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation co...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50573388
PNG
(CHEMBL4847432)
Show SMILES CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@H](CN2)OCCCCO)c1O |r|
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 1.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation co...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM123850
PNG
(US8748608, 34 | US8748608, 34 Enantiomer A | US874...)
Show SMILES OC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
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)
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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 (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
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))		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(2) dopamine receptor


(Homo sapiens (Human))		BDBM50573384
PNG
(CHEMBL4853568)
Show SMILES CCN1C[C@@H](C[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC)OCCCCNC(=O)c1cc2ccccc2[nH]1 |r|
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 1.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation co...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50104922
PNG
(CHEMBL3597637)
Show SMILES COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C25H29ClN4O2/c1-32-24-21(26)8-6-10-23(24)30-15-13-29(14-16-30)12-5-4-11-27-25(31)20-17-19-7-2-3-9-22(19)28-18-20/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,27,31)
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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 [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50105039
PNG
(CHEMBL3597650)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cnc3ccc(F)cc3c2)CC1
Show InChI InChI=1S/C25H29FN4O2/c1-32-24-7-3-2-6-23(24)30-14-12-29(13-15-30)11-5-4-10-27-25(31)20-16-19-17-21(26)8-9-22(19)28-18-20/h2-3,6-9,16-18H,4-5,10-15H2,1H3,(H,27,31)
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 2.10n/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 (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
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
D(3) dopamine receptor


(Homo sapiens)		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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 2.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50573383
PNG
(CHEMBL4850300)
Show SMILES CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@H](CN2)OCCCCNC(=O)c2cc3ccccc3o2)c1O |r|
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 2.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation co...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50573366
PNG
(CHEMBL4861573)
Show SMILES Cl.CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2)c1O |r|
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PubMed
 2.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation co...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50104926
PNG
(CHEMBL3597636)
Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C28H30N4O2/c33-24(12-13-29-28(34)23-18-22-7-2-4-10-26(22)30-19-23)20-31-14-16-32(17-15-31)27-11-5-8-21-6-1-3-9-25(21)27/h1-11,18-19,24,33H,12-17,20H2,(H,29,34)
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PubMed
 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 5HT2A receptor (unknown origin)

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50573382
PNG
(CHEMBL4860478)
Show SMILES CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@H](CN2)OCCCCNC(=O)c2cc3ccccc3[nH]2)c1O |r|
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PubMed
 2.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation co...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50105024
PNG
(CHEMBL3597647)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3cc(F)ccc3n2)CC1
Show InChI InChI=1S/C25H29FN4O2/c1-32-24-7-3-2-6-23(24)30-16-14-29(15-17-30)13-5-4-12-27-25(31)22-10-8-19-18-20(26)9-11-21(19)28-22/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,27,31)
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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
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50104925
PNG
(CHEMBL3597635)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cnc2ccccc2c1
Show InChI InChI=1S/C28H30N4O/c33-28(24-20-23-9-2-4-12-26(23)30-21-24)29-14-5-6-15-31-16-18-32(19-17-31)27-13-7-10-22-8-1-3-11-25(22)27/h1-4,7-13,20-21H,5-6,14-19H2,(H,29,33)
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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
Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin)

J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50573381
PNG
(CHEMBL4864320)
Show SMILES CCCN1C[C@@H](C[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC)OCCCCOc1ccc2CCC(=O)Nc2c1 |r|
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PubMed
 2.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation co...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01353
BindingDB Entry DOI: 10.7270/Q2BV7MF8
More data for this
Ligand-Target Pair
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