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BDBM50222788 1-(2-cyclopentyl-7-(4-methylpiperidine-1-carbonyl)-2,3-dihydropyrrolo[3,4-b]indol-4(1H)-yl)ethanone::CHEMBL400051

SMILES: CC1CCN(CC1)C(=O)c1ccc2n(C(C)=O)c3CN(Cc3c2c1)C1CCCC1

InChI Key: InChIKey=BLMFCUBJOMEWGH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50222788   
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 2


(Homo sapiens (Human))
BDBM50222788
PNG
(1-(2-cyclopentyl-7-(4-methylpiperidine-1-carbonyl)...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(C(C)=O)c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C24H31N3O2/c1-16-9-11-25(12-10-16)24(29)18-7-8-22-20(13-18)21-14-26(19-5-3-4-6-19)15-23(21)27(22)17(2)28/h7-8,13,16,19H,3-6,9-12,14-15H2,1-2H3
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PC sid
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88.1n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
BindingDB Entry DOI: 10.7270/Q2TH8MD3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222788
PNG
(1-(2-cyclopentyl-7-(4-methylpiperidine-1-carbonyl)...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(C(C)=O)c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C24H31N3O2/c1-16-9-11-25(12-10-16)24(29)18-7-8-22-20(13-18)21-14-26(19-5-3-4-6-19)15-23(21)27(22)17(2)28/h7-8,13,16,19H,3-6,9-12,14-15H2,1-2H3
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88.1n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor


J Med Chem 52: 369-78 (2009)


Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222788
PNG
(1-(2-cyclopentyl-7-(4-methylpiperidine-1-carbonyl)...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(C(C)=O)c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C24H31N3O2/c1-16-9-11-25(12-10-16)24(29)18-7-8-22-20(13-18)21-14-26(19-5-3-4-6-19)15-23(21)27(22)17(2)28/h7-8,13,16,19H,3-6,9-12,14-15H2,1-2H3
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2.33E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor


J Med Chem 52: 369-78 (2009)


Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222788
PNG
(1-(2-cyclopentyl-7-(4-methylpiperidine-1-carbonyl)...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(C(C)=O)c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C24H31N3O2/c1-16-9-11-25(12-10-16)24(29)18-7-8-22-20(13-18)21-14-26(19-5-3-4-6-19)15-23(21)27(22)17(2)28/h7-8,13,16,19H,3-6,9-12,14-15H2,1-2H3
PDB

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2.33E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
BindingDB Entry DOI: 10.7270/Q2TH8MD3
More data for this
Ligand-Target Pair