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BDBM50222793 (4-(ethylsulfonyl)-2-propyl-1,2,3,4-tetrahydropyrrolo[3,4-b]indol-7-yl)(4-methylpiperidin-1-yl)methanone::CHEMBL400399

SMILES: CCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1

InChI Key: InChIKey=IUOUKGJDVHEAEX-UHFFFAOYSA-N

Data: 4 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 5 hits for monomerid = 50222793   
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))
BDBM50222793
PNG
((4-(ethylsulfonyl)-2-propyl-1,2,3,4-tetrahydropyrr...)
Show SMILES CCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3
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PC sid
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11.1n/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))
BDBM50222793
PNG
((4-(ethylsulfonyl)-2-propyl-1,2,3,4-tetrahydropyrr...)
Show SMILES CCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3
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11.1n/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))
BDBM50222793
PNG
((4-(ethylsulfonyl)-2-propyl-1,2,3,4-tetrahydropyrr...)
Show SMILES CCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3
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604n/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 1


(Homo sapiens (Human))
BDBM50222793
PNG
((4-(ethylsulfonyl)-2-propyl-1,2,3,4-tetrahydropyrr...)
Show SMILES CCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3
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604n/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 2


(Homo sapiens (Human))
BDBM50222793
PNG
((4-(ethylsulfonyl)-2-propyl-1,2,3,4-tetrahydropyrr...)
Show SMILES CCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3
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n/an/an/an/a 0.800n/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