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PubMed code 20061148

Compile data set for download or QSAR
Found 73 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(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306314
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(C2CCC2)C(C)=O)cc1
Show InChI InChI=1S/C24H29ClN2O2/c1-16(28)27(20-4-3-5-20)14-17-6-8-18(9-7-17)22-15-26(2)11-10-19-12-23(25)24(29)13-21(19)22/h6-9,12-13,20,22,29H,3-5,10-11,14-15H2,1-2H3/t22-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306322
PNG
(CHEMBL597909 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NS(C)(=O)=O)ccc21
Show InChI InChI=1S/C20H23ClN2O3S/c1-23-8-7-13-10-17(21)19(24)11-16(13)20-15-5-4-14(22-27(2,25)26)9-12(15)3-6-18(20)23/h4-5,9-11,18,20,22,24H,3,6-8H2,1-2H3/t18-,20+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306316
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN(Cc1ccc(cc1)[C@H]1CN(C)CCc2cc(Cl)c(O)cc12)S(C)(=O)=O
Show InChI InChI=1S/C20H25ClN2O3S/c1-22-9-8-16-10-19(21)20(24)11-17(16)18(13-22)15-6-4-14(5-7-15)12-23(2)27(3,25)26/h4-7,10-11,18,24H,8-9,12-13H2,1-3H3/t18-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306315
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(C2CCC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H29ClN2O3S/c1-25-11-10-18-12-22(24)23(27)13-20(18)21(15-25)17-8-6-16(7-9-17)14-26(30(2,28)29)19-4-3-5-19/h6-9,12-13,19,21,27H,3-5,10-11,14-15H2,1-2H3/t21-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306317
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN(Cc1ccc(cc1)[C@H]1CN(C)CCc2cc(Cl)c(O)cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H27ClN2O3S/c1-27-13-12-20-14-24(26)25(29)15-22(20)23(17-27)19-10-8-18(9-11-19)16-28(2)32(30,31)21-6-4-3-5-7-21/h3-11,14-15,23,29H,12-13,16-17H2,1-2H3/t23-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306319
PNG
((R)-5-(4-((benzyl(2,4-difluorophenyl)amino)methyl)...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(Cc2ccccc2)c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C31H29ClF2N2O/c1-35-14-13-24-15-28(32)31(37)17-26(24)27(20-35)23-9-7-22(8-10-23)19-36(18-21-5-3-2-4-6-21)30-12-11-25(33)16-29(30)34/h2-12,15-17,27,37H,13-14,18-20H2,1H3/t27-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306323
PNG
(CHEMBL600986 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)
Show SMILES CCS(=O)(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C21H25ClN2O3S/c1-3-28(26,27)23-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(25)18(22)11-14(17)8-9-24(19)2/h5-6,10-12,19,21,23,25H,3-4,7-9H2,1-2H3/t19-,21+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306325
PNG
(1-((6aS,13bR)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NC(=O)Nc3c(Cl)cccc3Cl)ccc21
Show InChI InChI=1S/C26H24Cl3N3O2/c1-32-10-9-15-12-21(29)23(33)13-18(15)24-17-7-6-16(11-14(17)5-8-22(24)32)30-26(34)31-25-19(27)3-2-4-20(25)28/h2-4,6-7,11-13,22,24,33H,5,8-10H2,1H3,(H2,30,31,34)/t22-,24+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306313
PNG
((R)-8-chloro-5-(4-((cyclobutylamino)methyl)phenyl)...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CNC2CCC2)cc1
Show InChI InChI=1S/C22H27ClN2O/c1-25-10-9-17-11-21(23)22(26)12-19(17)20(14-25)16-7-5-15(6-8-16)13-24-18-3-2-4-18/h5-8,11-12,18,20,24,26H,2-4,9-10,13-14H2,1H3/t20-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306317
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN(Cc1ccc(cc1)[C@H]1CN(C)CCc2cc(Cl)c(O)cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H27ClN2O3S/c1-27-13-12-20-14-24(26)25(29)15-22(20)23(17-27)19-10-8-18(9-11-19)16-28(2)32(30,31)21-6-4-3-5-7-21/h3-11,14-15,23,29H,12-13,16-17H2,1-2H3/t23-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D5 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004823
PNG
((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306334
PNG
((6aS,13bR)-11-chloro-7-methyl-2-((4-(pyridin-2-yl)...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccc(CN3CCN(CC3)c3ccccn3)cc21
Show InChI InChI=1S/C29H33ClN4O/c1-32-11-9-22-17-25(30)27(35)18-24(22)29-23-16-20(5-6-21(23)7-8-26(29)32)19-33-12-14-34(15-13-33)28-4-2-3-10-31-28/h2-6,10,16-18,26,29,35H,7-9,11-15,19H2,1H3/t26-,29+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306326
PNG
(CHEMBL603485 | ethyl(6aS,13bR)-11-chloro-12-hydrox...)
Show SMILES CCOC(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C22H25ClN2O3/c1-3-28-22(27)24-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(26)18(23)11-14(17)8-9-25(19)2/h5-6,10-12,19,21,26H,3-4,7-9H2,1-2H3,(H,24,27)/t19-,21+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306324
PNG
(1-((6aS,13bR)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CCNC(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C22H26ClN3O2/c1-3-24-22(28)25-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(27)18(23)11-14(17)8-9-26(19)2/h5-6,10-12,19,21,27H,3-4,7-9H2,1-2H3,(H2,24,25,28)/t19-,21+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306318
PNG
((R)-8-chloro-3-methyl-5-(4-((phenylamino)methyl)ph...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CNc2ccccc2)cc1
Show InChI InChI=1S/C24H25ClN2O/c1-27-12-11-19-13-23(25)24(28)14-21(19)22(16-27)18-9-7-17(8-10-18)15-26-20-5-3-2-4-6-20/h2-10,13-14,22,26,28H,11-12,15-16H2,1H3/t22-/m1/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50004823
PNG
((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D5 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306333
PNG
(CHEMBL601634 | N-((6aS,13bS)-11-chloro-12-hydroxy-...)
Show SMILES CCC(=O)Nc1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C22H25ClN2O2/c1-3-21(27)24-18-6-4-5-15-14(18)7-8-19-22(15)16-12-20(26)17(23)11-13(16)9-10-25(19)2/h4-6,11-12,19,22,26H,3,7-10H2,1-2H3,(H,24,27)/t19-,22+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306321
PNG
(CHEMBL598516 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NC(=O)C3CC3)ccc21
Show InChI InChI=1S/C23H25ClN2O2/c1-26-9-8-15-11-19(24)21(27)12-18(15)22-17-6-5-16(25-23(28)13-2-3-13)10-14(17)4-7-20(22)26/h5-6,10-13,20,22,27H,2-4,7-9H2,1H3,(H,25,28)/t20-,22+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306331
PNG
(1-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CCNC(=O)Nc1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C22H26ClN3O2/c1-3-24-22(28)25-18-6-4-5-15-14(18)7-8-19-21(15)16-12-20(27)17(23)11-13(16)9-10-26(19)2/h4-6,11-12,19,21,27H,3,7-10H2,1-2H3,(H2,24,25,28)/t19-,21+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D5 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306327
PNG
((6aS,13bS)-4-amino-11-chloro-7-methyl-6,6a,7,8,9,1...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(N)cccc21
Show InChI InChI=1S/C19H21ClN2O/c1-22-8-7-11-9-15(20)18(23)10-14(11)19-13-3-2-4-16(21)12(13)5-6-17(19)22/h2-4,9-10,17,19,23H,5-8,21H2,1H3/t17-,19+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306326
PNG
(CHEMBL603485 | ethyl(6aS,13bR)-11-chloro-12-hydrox...)
Show SMILES CCOC(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C22H25ClN2O3/c1-3-28-22(27)24-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(26)18(23)11-14(17)8-9-25(19)2/h5-6,10-12,19,21,26H,3-4,7-9H2,1-2H3,(H,24,27)/t19-,21+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D5 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306313
PNG
((R)-8-chloro-5-(4-((cyclobutylamino)methyl)phenyl)...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CNC2CCC2)cc1
Show InChI InChI=1S/C22H27ClN2O/c1-25-10-9-17-11-21(23)22(26)12-19(17)20(14-25)16-7-5-15(6-8-16)13-24-18-3-2-4-18/h5-8,11-12,18,20,24,26H,2-4,9-10,13-14H2,1H3/t20-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D5 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306329
PNG
(CHEMBL604135 | N-((6aS,13bS)-11-chloro-12-hydroxy-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(NS(C)(=O)=O)cccc21
Show InChI InChI=1S/C20H23ClN2O3S/c1-23-9-8-12-10-16(21)19(24)11-15(12)20-14-4-3-5-17(22-27(2,25)26)13(14)6-7-18(20)23/h3-5,10-11,18,20,22,24H,6-9H2,1-2H3/t18-,20+/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306323
PNG
(CHEMBL600986 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)
Show SMILES CCS(=O)(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C21H25ClN2O3S/c1-3-28(26,27)23-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(25)18(22)11-14(17)8-9-24(19)2/h5-6,10-12,19,21,23,25H,3-4,7-9H2,1-2H3/t19-,21+/m0/s1
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5.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D5 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306328
PNG
(CHEMBL602659 | N-((6aS,13bS)-11-chloro-12-hydroxy-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(NC(=O)C3CC3)cccc21
Show InChI InChI=1S/C23H25ClN2O2/c1-26-10-9-14-11-18(24)21(27)12-17(14)22-16-3-2-4-19(15(16)7-8-20(22)26)25-23(28)13-5-6-13/h2-4,11-13,20,22,27H,5-10H2,1H3,(H,25,28)/t20-,22+/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306322
PNG
(CHEMBL597909 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NS(C)(=O)=O)ccc21
Show InChI InChI=1S/C20H23ClN2O3S/c1-23-8-7-13-10-17(21)19(24)11-16(13)20-15-5-4-14(22-27(2,25)26)9-12(15)3-6-18(20)23/h4-5,9-11,18,20,22,24H,3,6-8H2,1-2H3/t18-,20+/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D5 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306330
PNG
(CHEMBL602052 | N-((6aS,13bS)-11-chloro-12-hydroxy-...)
Show SMILES CCS(=O)(=O)Nc1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C21H25ClN2O3S/c1-3-28(26,27)23-18-6-4-5-15-14(18)7-8-19-21(15)16-12-20(25)17(22)11-13(16)9-10-24(19)2/h4-6,11-12,19,21,23,25H,3,7-10H2,1-2H3/t19-,21+/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306315
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(C2CCC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H29ClN2O3S/c1-25-11-10-18-12-22(24)23(27)13-20(18)21(15-25)17-8-6-16(7-9-17)14-26(30(2,28)29)19-4-3-5-19/h6-9,12-13,19,21,27H,3-5,10-11,14-15H2,1-2H3/t21-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D5 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306327
PNG
((6aS,13bS)-4-amino-11-chloro-7-methyl-6,6a,7,8,9,1...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(N)cccc21
Show InChI InChI=1S/C19H21ClN2O/c1-22-8-7-11-9-15(20)18(23)10-14(11)19-13-3-2-4-16(21)12(13)5-6-17(19)22/h2-4,9-10,17,19,23H,5-8,21H2,1H3/t17-,19+/m0/s1
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7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D5 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306320
PNG
((6aS,13bR)-3-amino-11-chloro-7-methyl-6,6a,7,8,9,1...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(N)ccc21
Show InChI InChI=1S/C19H21ClN2O/c1-22-7-6-12-9-16(20)18(23)10-15(12)19-14-4-3-13(21)8-11(14)2-5-17(19)22/h3-4,8-10,17,19,23H,2,5-7,21H2,1H3/t17-,19+/m0/s1
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7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306332
PNG
(1-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(NC(=O)Nc3c(Cl)cccc3Cl)cccc21
Show InChI InChI=1S/C26H24Cl3N3O2/c1-32-11-10-14-12-20(29)23(33)13-17(14)24-16-4-2-7-21(15(16)8-9-22(24)32)30-26(34)31-25-18(27)5-3-6-19(25)28/h2-7,12-13,22,24,33H,8-11H2,1H3,(H2,30,31,34)/t22-,24+/m0/s1
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7.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306324
PNG
(1-((6aS,13bR)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CCNC(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C22H26ClN3O2/c1-3-24-22(28)25-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(27)18(23)11-14(17)8-9-26(19)2/h5-6,10-12,19,21,27H,3-4,7-9H2,1-2H3,(H2,24,25,28)/t19-,21+/m0/s1
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7.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D5 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306320
PNG
((6aS,13bR)-3-amino-11-chloro-7-methyl-6,6a,7,8,9,1...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(N)ccc21
Show InChI InChI=1S/C19H21ClN2O/c1-22-7-6-12-9-16(20)18(23)10-15(12)19-14-4-3-13(21)8-11(14)2-5-17(19)22/h3-4,8-10,17,19,23H,2,5-7,21H2,1H3/t17-,19+/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D5 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306314
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(C2CCC2)C(C)=O)cc1
Show InChI InChI=1S/C24H29ClN2O2/c1-16(28)27(20-4-3-5-20)14-17-6-8-18(9-7-17)22-15-26(2)11-10-19-12-23(25)24(29)13-21(19)22/h6-9,12-13,20,22,29H,3-5,10-11,14-15H2,1-2H3/t22-/m1/s1
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13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D5 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306335
PNG
((6aS,13bR)-11-chloro-7-methyl-2-(piperidin-1-ylmet...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccc(CN3CCCCC3)cc21
Show InChI InChI=1S/C25H31ClN2O/c1-27-12-9-19-14-22(26)24(29)15-21(19)25-20-13-17(16-28-10-3-2-4-11-28)5-6-18(20)7-8-23(25)27/h5-6,13-15,23,25,29H,2-4,7-12,16H2,1H3/t23-,25+/m0/s1
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26n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306334
PNG
((6aS,13bR)-11-chloro-7-methyl-2-((4-(pyridin-2-yl)...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccc(CN3CCN(CC3)c3ccccn3)cc21
Show InChI InChI=1S/C29H33ClN4O/c1-32-11-9-22-17-25(30)27(35)18-24(22)29-23-16-20(5-6-21(23)7-8-26(29)32)19-33-12-14-34(15-13-33)28-4-2-3-10-31-28/h2-6,10,16-18,26,29,35H,7-9,11-15,19H2,1H3/t26-,29+/m0/s1
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152n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306314
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(C2CCC2)C(C)=O)cc1
Show InChI InChI=1S/C24H29ClN2O2/c1-16(28)27(20-4-3-5-20)14-17-6-8-18(9-7-17)22-15-26(2)11-10-19-12-23(25)24(29)13-21(19)22/h6-9,12-13,20,22,29H,3-5,10-11,14-15H2,1-2H3/t22-/m1/s1
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159n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306335
PNG
((6aS,13bR)-11-chloro-7-methyl-2-(piperidin-1-ylmet...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccc(CN3CCCCC3)cc21
Show InChI InChI=1S/C25H31ClN2O/c1-27-12-9-19-14-22(26)24(29)15-21(19)25-20-13-17(16-28-10-3-2-4-11-28)5-6-18(20)7-8-23(25)27/h5-6,13-15,23,25,29H,2-4,7-12,16H2,1H3/t23-,25+/m0/s1
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225n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306317
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN(Cc1ccc(cc1)[C@H]1CN(C)CCc2cc(Cl)c(O)cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H27ClN2O3S/c1-27-13-12-20-14-24(26)25(29)15-22(20)23(17-27)19-10-8-18(9-11-19)16-28(2)32(30,31)21-6-4-3-5-7-21/h3-11,14-15,23,29H,12-13,16-17H2,1-2H3/t23-/m1/s1
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331n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306333
PNG
(CHEMBL601634 | N-((6aS,13bS)-11-chloro-12-hydroxy-...)
Show SMILES CCC(=O)Nc1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C22H25ClN2O2/c1-3-21(27)24-18-6-4-5-15-14(18)7-8-19-22(15)16-12-20(26)17(23)11-13(16)9-10-25(19)2/h4-6,11-12,19,22,26H,3,7-10H2,1-2H3,(H,24,27)/t19-,22+/m0/s1
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500n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306319
PNG
((R)-5-(4-((benzyl(2,4-difluorophenyl)amino)methyl)...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(Cc2ccccc2)c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C31H29ClF2N2O/c1-35-14-13-24-15-28(32)31(37)17-26(24)27(20-35)23-9-7-22(8-10-23)19-36(18-21-5-3-2-4-6-21)30-12-11-25(33)16-29(30)34/h2-12,15-17,27,37H,13-14,18-20H2,1H3/t27-/m1/s1
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552n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306332
PNG
(1-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(NC(=O)Nc3c(Cl)cccc3Cl)cccc21
Show InChI InChI=1S/C26H24Cl3N3O2/c1-32-11-10-14-12-20(29)23(33)13-17(14)24-16-4-2-7-21(15(16)8-9-22(24)32)30-26(34)31-25-18(27)5-3-6-19(25)28/h2-7,12-13,22,24,33H,8-11H2,1H3,(H2,30,31,34)/t22-,24+/m0/s1
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566n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306330
PNG
(CHEMBL602052 | N-((6aS,13bS)-11-chloro-12-hydroxy-...)
Show SMILES CCS(=O)(=O)Nc1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C21H25ClN2O3S/c1-3-28(26,27)23-18-6-4-5-15-14(18)7-8-19-21(15)16-12-20(25)17(22)11-13(16)9-10-24(19)2/h4-6,11-12,19,21,23,25H,3,7-10H2,1-2H3/t19-,21+/m0/s1
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618n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306331
PNG
(1-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CCNC(=O)Nc1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C22H26ClN3O2/c1-3-24-22(28)25-18-6-4-5-15-14(18)7-8-19-21(15)16-12-20(27)17(23)11-13(16)9-10-26(19)2/h4-6,11-12,19,21,27H,3,7-10H2,1-2H3,(H2,24,25,28)/t19-,21+/m0/s1
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900n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50004823
PNG
((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
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980n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306329
PNG
(CHEMBL604135 | N-((6aS,13bS)-11-chloro-12-hydroxy-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(NS(C)(=O)=O)cccc21
Show InChI InChI=1S/C20H23ClN2O3S/c1-23-9-8-12-10-16(21)19(24)11-15(12)20-14-4-3-5-17(22-27(2,25)26)13(14)6-7-18(20)23/h3-5,10-11,18,20,22,24H,6-9H2,1-2H3/t18-,20+/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306325
PNG
(1-((6aS,13bR)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NC(=O)Nc3c(Cl)cccc3Cl)ccc21
Show InChI InChI=1S/C26H24Cl3N3O2/c1-32-10-9-15-12-21(29)23(33)13-18(15)24-17-7-6-16(11-14(17)5-8-22(24)32)30-26(34)31-25-19(27)3-2-4-20(25)28/h2-4,6-7,11-13,22,24,33H,5,8-10H2,1H3,(H2,30,31,34)/t22-,24+/m0/s1
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1.09E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306313
PNG
((R)-8-chloro-5-(4-((cyclobutylamino)methyl)phenyl)...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CNC2CCC2)cc1
Show InChI InChI=1S/C22H27ClN2O/c1-25-10-9-17-11-21(23)22(26)12-19(17)20(14-25)16-7-5-15(6-8-16)13-24-18-3-2-4-18/h5-8,11-12,18,20,24,26H,2-4,9-10,13-14H2,1H3/t20-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306315
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(C2CCC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H29ClN2O3S/c1-25-11-10-18-12-22(24)23(27)13-20(18)21(15-25)17-8-6-16(7-9-17)14-26(30(2,28)29)19-4-3-5-19/h6-9,12-13,19,21,27H,3-5,10-11,14-15H2,1-2H3/t21-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306318
PNG
((R)-8-chloro-3-methyl-5-(4-((phenylamino)methyl)ph...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CNc2ccccc2)cc1
Show InChI InChI=1S/C24H25ClN2O/c1-27-12-11-19-13-23(25)24(28)14-21(19)22(16-27)18-9-7-17(8-10-18)15-26-20-5-3-2-4-6-20/h2-10,13-14,22,26,28H,11-12,15-16H2,1H3/t22-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306327
PNG
((6aS,13bS)-4-amino-11-chloro-7-methyl-6,6a,7,8,9,1...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(N)cccc21
Show InChI InChI=1S/C19H21ClN2O/c1-22-8-7-11-9-15(20)18(23)10-14(11)19-13-3-2-4-16(21)12(13)5-6-17(19)22/h2-4,9-10,17,19,23H,5-8,21H2,1H3/t17-,19+/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306328
PNG
(CHEMBL602659 | N-((6aS,13bS)-11-chloro-12-hydroxy-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(NC(=O)C3CC3)cccc21
Show InChI InChI=1S/C23H25ClN2O2/c1-26-10-9-14-11-18(24)21(27)12-17(14)22-16-3-2-4-19(15(16)7-8-20(22)26)25-23(28)13-5-6-13/h2-4,11-13,20,22,27H,5-10H2,1H3,(H,25,28)/t20-,22+/m0/s1
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2.14E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306322
PNG
(CHEMBL597909 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NS(C)(=O)=O)ccc21
Show InChI InChI=1S/C20H23ClN2O3S/c1-23-8-7-13-10-17(21)19(24)11-16(13)20-15-5-4-14(22-27(2,25)26)9-12(15)3-6-18(20)23/h4-5,9-11,18,20,22,24H,3,6-8H2,1-2H3/t18-,20+/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306323
PNG
(CHEMBL600986 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)
Show SMILES CCS(=O)(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C21H25ClN2O3S/c1-3-28(26,27)23-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(25)18(22)11-14(17)8-9-24(19)2/h5-6,10-12,19,21,23,25H,3-4,7-9H2,1-2H3/t19-,21+/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306326
PNG
(CHEMBL603485 | ethyl(6aS,13bR)-11-chloro-12-hydrox...)
Show SMILES CCOC(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C22H25ClN2O3/c1-3-28-22(27)24-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(26)18(23)11-14(17)8-9-25(19)2/h5-6,10-12,19,21,26H,3-4,7-9H2,1-2H3,(H,24,27)/t19-,21+/m0/s1
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3.90E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306317
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN(Cc1ccc(cc1)[C@H]1CN(C)CCc2cc(Cl)c(O)cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H27ClN2O3S/c1-27-13-12-20-14-24(26)25(29)15-22(20)23(17-27)19-10-8-18(9-11-19)16-28(2)32(30,31)21-6-4-3-5-7-21/h3-11,14-15,23,29H,12-13,16-17H2,1-2H3/t23-/m1/s1
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PubMed
4.33E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306320
PNG
((6aS,13bR)-3-amino-11-chloro-7-methyl-6,6a,7,8,9,1...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(N)ccc21
Show InChI InChI=1S/C19H21ClN2O/c1-22-7-6-12-9-16(20)18(23)10-15(12)19-14-4-3-13(21)8-11(14)2-5-17(19)22/h3-4,8-10,17,19,23H,2,5-7,21H2,1H3/t17-,19+/m0/s1
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PubMed
5.40E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50004823
PNG
((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
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5.52E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306324
PNG
(1-((6aS,13bR)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CCNC(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C22H26ClN3O2/c1-3-24-22(28)25-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(27)18(23)11-14(17)8-9-26(19)2/h5-6,10-12,19,21,27H,3-4,7-9H2,1-2H3,(H2,24,25,28)/t19-,21+/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306316
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN(Cc1ccc(cc1)[C@H]1CN(C)CCc2cc(Cl)c(O)cc12)S(C)(=O)=O
Show InChI InChI=1S/C20H25ClN2O3S/c1-22-9-8-16-10-19(21)20(24)11-17(16)18(13-22)15-6-4-14(5-7-15)12-23(2)27(3,25)26/h4-7,10-11,18,24H,8-9,12-13H2,1-3H3/t18-/m1/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306320
PNG
((6aS,13bR)-3-amino-11-chloro-7-methyl-6,6a,7,8,9,1...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(N)ccc21
Show InChI InChI=1S/C19H21ClN2O/c1-22-7-6-12-9-16(20)18(23)10-15(12)19-14-4-3-13(21)8-11(14)2-5-17(19)22/h3-4,8-10,17,19,23H,2,5-7,21H2,1H3/t17-,19+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306313
PNG
((R)-8-chloro-5-(4-((cyclobutylamino)methyl)phenyl)...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CNC2CCC2)cc1
Show InChI InChI=1S/C22H27ClN2O/c1-25-10-9-17-11-21(23)22(26)12-19(17)20(14-25)16-7-5-15(6-8-16)13-24-18-3-2-4-18/h5-8,11-12,18,20,24,26H,2-4,9-10,13-14H2,1H3/t20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306326
PNG
(CHEMBL603485 | ethyl(6aS,13bR)-11-chloro-12-hydrox...)
Show SMILES CCOC(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C22H25ClN2O3/c1-3-28-22(27)24-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(26)18(23)11-14(17)8-9-25(19)2/h5-6,10-12,19,21,26H,3-4,7-9H2,1-2H3,(H,24,27)/t19-,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306315
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(C2CCC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H29ClN2O3S/c1-25-11-10-18-12-22(24)23(27)13-20(18)21(15-25)17-8-6-16(7-9-17)14-26(30(2,28)29)19-4-3-5-19/h6-9,12-13,19,21,27H,3-5,10-11,14-15H2,1-2H3/t21-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306321
PNG
(CHEMBL598516 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NC(=O)C3CC3)ccc21
Show InChI InChI=1S/C23H25ClN2O2/c1-26-9-8-15-11-19(24)21(27)12-18(15)22-17-6-5-16(25-23(28)13-2-3-13)10-14(17)4-7-20(22)26/h5-6,10-13,20,22,27H,2-4,7-9H2,1H3,(H,25,28)/t20-,22+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306327
PNG
((6aS,13bS)-4-amino-11-chloro-7-methyl-6,6a,7,8,9,1...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(N)cccc21
Show InChI InChI=1S/C19H21ClN2O/c1-22-8-7-11-9-15(20)18(23)10-14(11)19-13-3-2-4-16(21)12(13)5-6-17(19)22/h2-4,9-10,17,19,23H,5-8,21H2,1H3/t17-,19+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306324
PNG
(1-((6aS,13bR)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)
Show SMILES CCNC(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C22H26ClN3O2/c1-3-24-22(28)25-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(27)18(23)11-14(17)8-9-26(19)2/h5-6,10-12,19,21,27H,3-4,7-9H2,1-2H3,(H2,24,25,28)/t19-,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306314
PNG
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(C2CCC2)C(C)=O)cc1
Show InChI InChI=1S/C24H29ClN2O2/c1-16(28)27(20-4-3-5-20)14-17-6-8-18(9-7-17)22-15-26(2)11-10-19-12-23(25)24(29)13-21(19)22/h6-9,12-13,20,22,29H,3-5,10-11,14-15H2,1-2H3/t22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306322
PNG
(CHEMBL597909 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NS(C)(=O)=O)ccc21
Show InChI InChI=1S/C20H23ClN2O3S/c1-23-8-7-13-10-17(21)19(24)11-16(13)20-15-5-4-14(22-27(2,25)26)9-12(15)3-6-18(20)23/h4-5,9-11,18,20,22,24H,3,6-8H2,1-2H3/t18-,20+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306323
PNG
(CHEMBL600986 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)
Show SMILES CCS(=O)(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31
Show InChI InChI=1S/C21H25ClN2O3S/c1-3-28(26,27)23-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(25)18(22)11-14(17)8-9-24(19)2/h5-6,10-12,19,21,23,25H,3-4,7-9H2,1-2H3/t19-,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%