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BDBM50222804 (2-(cyclopropylmethyl)-4-(ethylsulfonyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]indol-7-yl)(4-methylpiperidin-1-yl)methanone::CHEMBL250809

SMILES: CCS(=O)(=O)n1c2CN(CC3CC3)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1

InChI Key: InChIKey=FXQWXZXBOMJWJV-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 = 50222804   
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))
BDBM50222804
PNG
((2-(cyclopropylmethyl)-4-(ethylsulfonyl)-1,2,3,4-t...)
Show SMILES CCS(=O)(=O)n1c2CN(CC3CC3)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C23H31N3O3S/c1-3-30(28,29)26-21-7-6-18(23(27)25-10-8-16(2)9-11-25)12-19(21)20-14-24(15-22(20)26)13-17-4-5-17/h6-7,12,16-17H,3-5,8-11,13-15H2,1-2H3
PDB

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PC cid
PC sid
UniChem
Article
PubMed
6.30n/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))
BDBM50222804
PNG
((2-(cyclopropylmethyl)-4-(ethylsulfonyl)-1,2,3,4-t...)
Show SMILES CCS(=O)(=O)n1c2CN(CC3CC3)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C23H31N3O3S/c1-3-30(28,29)26-21-7-6-18(23(27)25-10-8-16(2)9-11-25)12-19(21)20-14-24(15-22(20)26)13-17-4-5-17/h6-7,12,16-17H,3-5,8-11,13-15H2,1-2H3
PDB

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176n/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))
BDBM50222804
PNG
((2-(cyclopropylmethyl)-4-(ethylsulfonyl)-1,2,3,4-t...)
Show SMILES CCS(=O)(=O)n1c2CN(CC3CC3)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C23H31N3O3S/c1-3-30(28,29)26-21-7-6-18(23(27)25-10-8-16(2)9-11-25)12-19(21)20-14-24(15-22(20)26)13-17-4-5-17/h6-7,12,16-17H,3-5,8-11,13-15H2,1-2H3
PDB

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n/an/an/an/a 0.5n/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