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BDBM50174548 (2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-ylmethyl)-1H-indol-3-yl]-methanone::CHEMBL370884

SMILES: CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12

InChI Key: InChIKey=FPYAVJFDESIWFK-UHFFFAOYSA-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 = 50174548   
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
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
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Article
PubMed
6.70n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
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PubMed
10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
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PubMed
34n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
PDB

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PubMed
34n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
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Article
PubMed
83n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
PDB

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Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair