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3 similar compounds to monomer 50083285

Compile data set for download or QSAR
Wt: 431.0
BDBM50083301
Wt: 392.9
BDBM50382307
Wt: 427.4
BDBM50382312

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50083301,50382307,50382312   
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
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382312
PNG
(CHEMBL2024677)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1/C21H32Cl2N4O/c1-25(2)21(28)24-19-5-3-16(4-6-19)7-8-26-9-11-27(12-10-26)20-14-17(22)13-18(23)15-20/h13-16,19H,3-12H2,1-2H3,(H,24,28)/t16-,19-
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PubMed
0.440n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382307
PNG
(CHEMBL2024523)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2)CC1
Show InChI InChI=1/C21H33ClN4O/c1-24(2)21(27)23-19-8-6-17(7-9-19)10-11-25-12-14-26(15-13-25)20-5-3-4-18(22)16-20/h3-5,16-17,19H,6-15H2,1-2H3,(H,23,27)/t17-,19-
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4.95n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50382312
PNG
(CHEMBL2024677)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1/C21H32Cl2N4O/c1-25(2)21(28)24-19-5-3-16(4-6-19)7-8-26-9-11-27(12-10-26)20-14-17(22)13-18(23)15-20/h13-16,19H,3-12H2,1-2H3,(H,24,28)/t16-,19-
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20.2n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083301
PNG
(1-Adamantan-1-yl-3-{3-[4-(3-chloro-phenyl)-piperaz...)
Show SMILES Clc1cccc(c1)N1CCN(CCCNC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1
Show InChI InChI=1S/C24H35ClN4O/c25-21-3-1-4-22(14-21)29-9-7-28(8-10-29)6-2-5-26-23(30)27-24-15-18-11-19(16-24)13-20(12-18)17-24/h1,3-4,14,18-20H,2,5-13,15-17H2,(H2,26,27,30)/t18-,19+,20-,24?
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45n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


Article DOI: 10.1021/jm9806704
BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50382307
PNG
(CHEMBL2024523)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2)CC1
Show InChI InChI=1/C21H33ClN4O/c1-24(2)21(27)23-19-8-6-17(7-9-19)10-11-25-12-14-26(15-13-25)20-5-3-4-18(22)16-20/h3-5,16-17,19H,6-15H2,1-2H3,(H,23,27)/t17-,19-
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53.4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair