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4 similar compounds to monomer 50306323

Compile data set for download or QSAR
Wt: 328.8
BDBM50306320
Wt: 406.9
BDBM50306322
Wt: 406.9
BDBM50306329
Wt: 420.9
BDBM50306330

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50306320,50306322,50306329,50306330   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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))
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))
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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PubMed
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
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
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
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))
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))
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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PubMed
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))
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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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))
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))
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