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PubMed code 14521403

Compile data set for download or QSAR
Found 49 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(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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PubMed
0.160n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was measured for its ability to compete with [125I]NCQ298 binding to the human Dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
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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PubMed
0.25n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133923
PNG
(4-Cyano-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES CCCCN1CCCC1CNC(=O)c1cc(C#N)c2ccccc2c1OC
Show InChI InChI=1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26)
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0.810n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133933
PNG
((R)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...)
Show SMILES CCCN1CCOC2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14?/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was measured for its ability to compete with [3H]spiperone binding to the human Dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054067
PNG
((2R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/t15-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50061669
PNG
((R)-2-(Benzylamino-methyl)-chroman-7-ol; oxalic ac...)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2/t16-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50241107
PNG
(1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazo...)
Show SMILES Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)
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3.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was measured for its ability to compete with [3H]spiperone binding to the human Dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM11638
PNG
(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
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8n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133931
PNG
(1-(4-fluoro-phenyl)-4-(3,4,6,7,12,12a-hexahydro-1H...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1
Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2
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11n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133937
PNG
((2,3,5,6,7,8-Hexahydro-naphtho[2,3-b]furan-7-yl)-d...)
Show SMILES CCCN(CCC)C1CCc2cc3CCOc3cc2C1
Show InChI InChI=1S/C18H27NO/c1-3-8-19(9-4-2)17-6-5-14-11-15-7-10-20-18(15)13-16(14)12-17/h11,13,17H,3-10,12H2,1-2H3
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13n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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16.6n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was measured for its ability to compete with [3H]spiperone binding to the human Dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM48320
PNG
(4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
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27n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133917
PNG
(((6S,7R)-6-Methyl-6,7,8,9-tetrahydro-naphtho[1,2-b...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(ccc3ccoc23)[C@@H]1C
Show InChI InChI=1S/C19H27NO/c1-4-11-20(12-5-2)18-9-8-17-16(14(18)3)7-6-15-10-13-21-19(15)17/h6-7,10,13-14,18H,4-5,8-9,11-12H2,1-3H3/t14-,18+/m0/s1
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27n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was measured for its ability to compete with [3H]spiperone binding to the human Dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133925
PNG
(4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-oxo-b...)
Show SMILES CN(C)C(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H28ClFN2O2/c1-27(2)23(30)24(19-7-9-20(25)10-8-19)13-16-28(17-14-24)15-3-4-22(29)18-5-11-21(26)12-6-18/h5-12H,3-4,13-17H2,1-2H3
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43.2n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50050467
PNG
(1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
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60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM76863
PNG
(3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzim...)
Show SMILES O=c1[nH]c2ccccc2n1CCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)
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62.7n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50041959
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C15H23NO/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3/h5-7,11,14,16H,4,8-10H2,1-3H3/t11-,14+/m0/s1
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70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133928
PNG
(1-(4-Fluoro-phenyl)-4-(1,2,4,4a,5,6-hexahydro-pyra...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2C(CCc3ccccc23)C1
Show InChI InChI=1S/C22H25FN2O/c23-19-10-7-18(8-11-19)22(26)6-3-13-24-14-15-25-20(16-24)12-9-17-4-1-2-5-21(17)25/h1-2,4-5,7-8,10-11,20H,3,6,9,12-16H2
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83.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50050467
PNG
(1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
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87n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was measured for its ability to compete with [3H]spiperone binding to the human Dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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88n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM81924
PNG
((R)-3-(1-Propyl-piperidin-3-yl)-phenol | 3PPP(+/-)...)
Show SMILES CCCN1CCCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3
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132n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was measured for its ability to compete with [3H]spiperone binding to the human Dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50041960
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-benzonitrile | (-)...)
Show SMILES CCCN1CCCC(C1)c1cccc(c1)C#N
Show InChI InChI=1S/C15H20N2/c1-2-8-17-9-4-7-15(12-17)14-6-3-5-13(10-14)11-16/h3,5-6,10,15H,2,4,7-9,12H2,1H3
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249n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was measured for its ability to compete with [3H]spiperone binding to the human Dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133918
PNG
(5-(1,2,4,4a,5,6-Hexahydro-pyrazino[1,2-a]quinolin-...)
Show SMILES O=C(CCCCN1CCN2C(CCc3ccccc23)C1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c26-23(20-9-2-1-3-10-20)12-6-7-15-24-16-17-25-21(18-24)14-13-19-8-4-5-11-22(19)25/h1-5,8-11,21H,6-7,12-18H2
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297n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133915
PNG
(CHEMBL136814 | Propionic acid 1-(4-oxo-4-phenyl-bu...)
Show SMILES CCC(=O)OC1(CCN(CCCC(=O)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C24H29NO3/c1-2-23(27)28-24(21-12-7-4-8-13-21)15-18-25(19-16-24)17-9-14-22(26)20-10-5-3-6-11-20/h3-8,10-13H,2,9,14-19H2,1H3
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429n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133930
PNG
(CHEMBL136629 | [3-(8,11-Dimethyl-benzo[c]phenothia...)
Show SMILES CN(C)CCCN1c2ccc3ccccc3c2Sc2c(C)ccc(C)c12
Show InChI InChI=1S/C23H26N2S/c1-16-10-11-17(2)22-21(16)25(15-7-14-24(3)4)20-13-12-18-8-5-6-9-19(18)23(20)26-22/h5-6,8-13H,7,14-15H2,1-4H3
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442n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133927
PNG
(1-(4-Fluoro-phenyl)-3-(1,2,4,4a,5,6-hexahydro-pyra...)
Show SMILES Fc1ccc(cc1)C(=O)CCN1CCN2C(CCc3ccccc23)C1
Show InChI InChI=1S/C21H23FN2O/c22-18-8-5-17(6-9-18)21(25)11-12-23-13-14-24-19(15-23)10-7-16-3-1-2-4-20(16)24/h1-6,8-9,19H,7,10-15H2
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465n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133916
PNG
(Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperi...)
Show SMILES O=C(OC1(CCN(CCc2ccccc2)CC1)c1nccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C29H28N2O2/c32-28(25-12-5-2-6-13-25)33-29(27-26-14-8-7-11-24(26)15-19-30-27)17-21-31(22-18-29)20-16-23-9-3-1-4-10-23/h1-15,19H,16-18,20-22H2
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1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133914
PNG
(3,5-Bis-[1-(4-bromo-phenyl)-meth-(E)-ylidene]-1-bu...)
Show SMILES CCCCN1C\C(=C/c2ccc(Br)cc2)C(=O)\C(C1)=C\c1ccc(Br)cc1
Show InChI InChI=1S/C23H23Br2NO/c1-2-3-12-26-15-19(13-17-4-8-21(24)9-5-17)23(27)20(16-26)14-18-6-10-22(25)11-7-18/h4-11,13-14H,2-3,12,15-16H2,1H3/b19-13+,20-14+
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1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133941
PNG
(3-Dipropylamino-1-(1,2,3,4-tetrahydro-phenanthren-...)
Show SMILES CCCN(CCC)CCC(O)c1cc2CCCCc2c2ccccc12
Show InChI InChI=1S/C23H33NO/c1-3-14-24(15-4-2)16-13-23(25)22-17-18-9-5-6-10-19(18)20-11-7-8-12-21(20)22/h7-8,11-12,17,23,25H,3-6,9-10,13-16H2,1-2H3
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1.26E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133922
PNG
(CHEMBL442214 | N-(4-Chloro-2,5-diphenyl-furan-3-yl...)
Show SMILES CCN(CC)CCCN(C)Cc1c(Cl)c(oc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H31ClN2O/c1-4-28(5-2)18-12-17-27(3)19-22-23(26)25(21-15-10-7-11-16-21)29-24(22)20-13-8-6-9-14-20/h6-11,13-16H,4-5,12,17-19H2,1-3H3
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1.38E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133913
PNG
(CHEMBL343517 | Dimethyl-[3-(10-methyl-benzo[c]phen...)
Show SMILES CN(C)CCCN1c2ccc(C)cc2Sc2c1ccc1ccccc21
Show InChI InChI=1S/C22H24N2S/c1-16-9-11-19-21(15-16)25-22-18-8-5-4-7-17(18)10-12-20(22)24(19)14-6-13-23(2)3/h4-5,7-12,15H,6,13-14H2,1-3H3
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1.42E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133935
PNG
(1-(4-Fluoro-phenyl)-4-(3,4,6,7,8,12c-hexahydro-1H-...)
Show SMILES OC(CCCN1CCN2CCc3[nH]c4ccccc4c3C2C1)c1ccc(F)cc1
Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)23(29)6-3-12-27-14-15-28-13-11-21-24(22(28)16-27)19-4-1-2-5-20(19)26-21/h1-2,4-5,7-10,22-23,26,29H,3,6,11-16H2
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2.41E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50045602
PNG
(1-[1-Heptyl-4-(3-hydroxy-phenyl)-piperidin-4-yl]-p...)
Show SMILES CCCCCCCN1CCC(CC1)(C(=O)CC)c1cccc(O)c1
Show InChI InChI=1S/C21H33NO2/c1-3-5-6-7-8-14-22-15-12-21(13-16-22,20(24)4-2)18-10-9-11-19(23)17-18/h9-11,17,23H,3-8,12-16H2,1-2H3
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2.62E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133934
PNG
((3,5-Dibutyl-[1,3,5]triazinan-1-yl)-(2,6-dichloro-...)
Show SMILES CCCCN1CN(CCCC)CN(C1)C(=S)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H27Cl2N3S/c1-3-5-10-21-12-22(11-6-4-2)14-23(13-21)18(24)17-15(19)8-7-9-16(17)20/h7-9H,3-6,10-14H2,1-2H3
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133926
PNG
(3-Dibutylaminomethyl-7-methoxy-2-methyl-quinolin-4...)
Show SMILES CCCCN(CCCC)Cc1c(C)nc2cc(OC)ccc2c1O
Show InChI InChI=1S/C20H30N2O2/c1-5-7-11-22(12-8-6-2)14-18-15(3)21-19-13-16(24-4)9-10-17(19)20(18)23/h9-10,13H,5-8,11-12,14H2,1-4H3,(H,21,23)
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133920
PNG
(1-Phenethyl-piperidine-3-carboxylic acid (4-ethoxy...)
Show SMILES CCOc1ccc(NC(=O)C2CCCN(CCc3ccccc3)C2)cc1
Show InChI InChI=1S/C22H28N2O2/c1-2-26-21-12-10-20(11-13-21)23-22(25)19-9-6-15-24(17-19)16-14-18-7-4-3-5-8-18/h3-5,7-8,10-13,19H,2,6,9,14-17H2,1H3,(H,23,25)
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133940
PNG
(CHEMBL136161 | Propionic acid 3-methyl-1-(3-oxo-3-...)
Show SMILES CCC(=O)OC1(CCN(CCC(=O)c2ccccc2)CC1C)c1ccccc1
Show InChI InChI=1S/C24H29NO3/c1-3-23(27)28-24(21-12-8-5-9-13-21)15-17-25(18-19(24)2)16-14-22(26)20-10-6-4-7-11-20/h4-13,19H,3,14-18H2,1-2H3
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133939
PNG
(3-[(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-(3-...)
Show SMILES O=C1N(CN(CCCN2CCOCC2)CCC#N)C(=O)c2ccccc12
Show InChI InChI=1S/C19H24N4O3/c20-7-3-8-22(10-4-9-21-11-13-26-14-12-21)15-23-18(24)16-5-1-2-6-17(16)19(23)25/h1-2,5-6H,3-4,8-15H2
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133932
PNG
(3-[(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-pro...)
Show SMILES CCCN(CCC#N)CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H17N3O2/c1-2-9-17(10-5-8-16)11-18-14(19)12-6-3-4-7-13(12)15(18)20/h3-4,6-7H,2,5,9-11H2,1H3
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133924
PNG
(2-(4-Pentyl-piperazin-1-yl)-1,4-diphenyl-butane-1,...)
Show SMILES CCCCCN1CCN(CC1)C(CC(=O)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H32N2O2/c1-2-3-10-15-26-16-18-27(19-17-26)23(25(29)22-13-8-5-9-14-22)20-24(28)21-11-6-4-7-12-21/h4-9,11-14,23H,2-3,10,15-20H2,1H3
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133921
PNG
(2-(2-Pyridin-4-yl-ethyl)-1,2,3,4,6,7,8,12c-octahyd...)
Show SMILES C(Cc1ccncc1)N1CCN2CCc3[nH]c4ccccc4c3C2C1
Show InChI InChI=1S/C21H24N4/c1-2-4-18-17(3-1)21-19(23-18)8-12-25-14-13-24(15-20(21)25)11-7-16-5-9-22-10-6-16/h1-6,9-10,20,23H,7-8,11-15H2
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133938
PNG
(Aceperone | CHEMBL136298 | N-{1-[4-(4-Fluoro-pheny...)
Show SMILES CC(=O)NCC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C24H29FN2O2/c1-19(28)26-18-24(21-6-3-2-4-7-21)13-16-27(17-14-24)15-5-8-23(29)20-9-11-22(25)12-10-20/h2-4,6-7,9-12H,5,8,13-18H2,1H3,(H,26,28)
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133936
PNG
(2-Dipropylaminomethyl-isoindole-1,3-dione | CHEMBL...)
Show SMILES CCCN(CCC)CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H20N2O2/c1-3-9-16(10-4-2)11-17-14(18)12-7-5-6-8-13(12)15(17)19/h5-8H,3-4,9-11H2,1-2H3
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133919
PNG
(3-Benzyl-5-butyl-[1,3,5]thiadiazinane-2-thione | C...)
Show SMILES CCCCN1CSC(=S)N(Cc2ccccc2)C1
Show InChI InChI=1S/C14H20N2S2/c1-2-3-9-15-11-16(14(17)18-12-15)10-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133912
PNG
(3-{1-[(Butyl-ethyl-amino)-methyl]-2-oxo-propyl}-4-...)
Show SMILES CCCCN(CC)CC(C1C(=O)OC2C=CCC=C2C1=O)C(C)=O |c:14,17|
Show InChI InChI=1S/C19H27NO4/c1-4-6-11-20(5-2)12-15(13(3)21)17-18(22)14-9-7-8-10-16(14)24-19(17)23/h8-10,15-17H,4-7,11-12H2,1-3H3
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50133929
PNG
(CHEMBL136530 | N'-(9-Ethyl-9H-carbazol-3-yl)-N,N-d...)
Show SMILES CCn1c2ccccc2c2cc(NCCCN(C)C)ccc12
Show InChI InChI=1S/C19H25N3/c1-4-22-18-9-6-5-8-16(18)17-14-15(10-11-19(17)22)20-12-7-13-21(2)3/h5-6,8-11,14,20H,4,7,12-13H2,1-3H3
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%