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BDBM50338642 (+)-R-11-(3-(4-((4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)-1H-1,2,3-triazol-1-yl)propoxy)-N-propylnoraporphine::CHEMBL1684133

SMILES: CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCCCn2cc(CCN4CCN(CC4)c4ccccc4OC)nn2)c-31

InChI Key: InChIKey=RXIFDJMCJKEING-MGBGTMOVSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50338642   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50338642
PNG
((+)-R-11-(3-(4-((4-(2-Methoxyphenyl)piperazin-1-yl...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCCCn2cc(CCN4CCN(CC4)c4ccccc4OC)nn2)c-31 |r|
Show InChI InChI=1S/C37H46N6O2/c1-3-17-41-20-15-28-9-6-11-31-36(28)33(41)26-29-10-7-14-35(37(29)31)45-25-8-18-43-27-30(38-39-43)16-19-40-21-23-42(24-22-40)32-12-4-5-13-34(32)44-2/h4-7,9-14,27,33H,3,8,15-26H2,1-2H3/t33-/m1/s1
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1.14n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D3 receptor expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 19: 1999-2008 (2011)


Article DOI: 10.1016/j.bmc.2011.01.053
BindingDB Entry DOI: 10.7270/Q2HD7VXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50338642
PNG
((+)-R-11-(3-(4-((4-(2-Methoxyphenyl)piperazin-1-yl...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCCCn2cc(CCN4CCN(CC4)c4ccccc4OC)nn2)c-31 |r|
Show InChI InChI=1S/C37H46N6O2/c1-3-17-41-20-15-28-9-6-11-31-36(28)33(41)26-29-10-7-14-35(37(29)31)45-25-8-18-43-27-30(38-39-43)16-19-40-21-23-42(24-22-40)32-12-4-5-13-34(32)44-2/h4-7,9-14,27,33H,3,8,15-26H2,1-2H3/t33-/m1/s1
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Article
PubMed
7.59n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor expressed in CHO cells by liquid scintillation counter


Bioorg Med Chem 19: 1999-2008 (2011)


Article DOI: 10.1016/j.bmc.2011.01.053
BindingDB Entry DOI: 10.7270/Q2HD7VXH
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50338642
PNG
((+)-R-11-(3-(4-((4-(2-Methoxyphenyl)piperazin-1-yl...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCCCn2cc(CCN4CCN(CC4)c4ccccc4OC)nn2)c-31 |r|
Show InChI InChI=1S/C37H46N6O2/c1-3-17-41-20-15-28-9-6-11-31-36(28)33(41)26-29-10-7-14-35(37(29)31)45-25-8-18-43-27-30(38-39-43)16-19-40-21-23-42(24-22-40)32-12-4-5-13-34(32)44-2/h4-7,9-14,27,33H,3,8,15-26H2,1-2H3/t33-/m1/s1
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Article
PubMed
7.70n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D3 receptor expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 19: 1999-2008 (2011)


Article DOI: 10.1016/j.bmc.2011.01.053
BindingDB Entry DOI: 10.7270/Q2HD7VXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50338642
PNG
((+)-R-11-(3-(4-((4-(2-Methoxyphenyl)piperazin-1-yl...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCCCn2cc(CCN4CCN(CC4)c4ccccc4OC)nn2)c-31 |r|
Show InChI InChI=1S/C37H46N6O2/c1-3-17-41-20-15-28-9-6-11-31-36(28)33(41)26-29-10-7-14-35(37(29)31)45-25-8-18-43-27-30(38-39-43)16-19-40-21-23-42(24-22-40)32-12-4-5-13-34(32)44-2/h4-7,9-14,27,33H,3,8,15-26H2,1-2H3/t33-/m1/s1
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245n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5-HT2A receptor expressed in CHO cells by liquid scintillation counter


Bioorg Med Chem 19: 1999-2008 (2011)


Article DOI: 10.1016/j.bmc.2011.01.053
BindingDB Entry DOI: 10.7270/Q2HD7VXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50338642
PNG
((+)-R-11-(3-(4-((4-(2-Methoxyphenyl)piperazin-1-yl...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCCCn2cc(CCN4CCN(CC4)c4ccccc4OC)nn2)c-31 |r|
Show InChI InChI=1S/C37H46N6O2/c1-3-17-41-20-15-28-9-6-11-31-36(28)33(41)26-29-10-7-14-35(37(29)31)45-25-8-18-43-27-30(38-39-43)16-19-40-21-23-42(24-22-40)32-12-4-5-13-34(32)44-2/h4-7,9-14,27,33H,3,8,15-26H2,1-2H3/t33-/m1/s1
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Article
PubMed
770n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 19: 1999-2008 (2011)


Article DOI: 10.1016/j.bmc.2011.01.053
BindingDB Entry DOI: 10.7270/Q2HD7VXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50338642
PNG
((+)-R-11-(3-(4-((4-(2-Methoxyphenyl)piperazin-1-yl...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCCCn2cc(CCN4CCN(CC4)c4ccccc4OC)nn2)c-31 |r|
Show InChI InChI=1S/C37H46N6O2/c1-3-17-41-20-15-28-9-6-11-31-36(28)33(41)26-29-10-7-14-35(37(29)31)45-25-8-18-43-27-30(38-39-43)16-19-40-21-23-42(24-22-40)32-12-4-5-13-34(32)44-2/h4-7,9-14,27,33H,3,8,15-26H2,1-2H3/t33-/m1/s1
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Article
PubMed
7.38E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 19: 1999-2008 (2011)


Article DOI: 10.1016/j.bmc.2011.01.053
BindingDB Entry DOI: 10.7270/Q2HD7VXH
More data for this
Ligand-Target Pair