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BDBM50222811 (2-cyclopentyl-4-(cyclopropylsulfonyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]indol-7-yl)(4-methylpiperidin-1-yl)methanone::CHEMBL404211

SMILES: CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(=O)(=O)C1CC1

InChI Key: InChIKey=ZQIRIKUSALQZQS-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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 3 hits for monomerid = 50222811   
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))
BDBM50222811
PNG
((2-cyclopentyl-4-(cyclopropylsulfonyl)-1,2,3,4-tet...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C25H33N3O3S/c1-17-10-12-26(13-11-17)25(29)18-6-9-23-21(14-18)22-15-27(19-4-2-3-5-19)16-24(22)28(23)32(30,31)20-7-8-20/h6,9,14,17,19-20H,2-5,7-8,10-13,15-16H2,1H3
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PC cid
PC sid
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Article
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9.40n/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 1


(Homo sapiens (Human))
BDBM50222811
PNG
((2-cyclopentyl-4-(cyclopropylsulfonyl)-1,2,3,4-tet...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C25H33N3O3S/c1-17-10-12-26(13-11-17)25(29)18-6-9-23-21(14-18)22-15-27(19-4-2-3-5-19)16-24(22)28(23)32(30,31)20-7-8-20/h6,9,14,17,19-20H,2-5,7-8,10-13,15-16H2,1H3
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137n/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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222811
PNG
((2-cyclopentyl-4-(cyclopropylsulfonyl)-1,2,3,4-tet...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C25H33N3O3S/c1-17-10-12-26(13-11-17)25(29)18-6-9-23-21(14-18)22-15-27(19-4-2-3-5-19)16-24(22)28(23)32(30,31)20-7-8-20/h6,9,14,17,19-20H,2-5,7-8,10-13,15-16H2,1H3
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n/an/an/an/a 1.5n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


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