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BDBM86884 CAS_15998702::N-cyclopentyl-5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methylbenzofuran-2-carboxamide::NSC_15998702

SMILES: CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCC3)c(C)c2c1

InChI Key: InChIKey=XVKVZJRZDGREIP-UHFFFAOYSA-N

Data: 2 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 86884   
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


(Homo sapiens (Human))
BDBM86884
PNG
(CAS_15998702 | N-cyclopentyl-5-(3,5-dimethylpiperi...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCC3)c(C)c2c1
Show InChI InChI=1S/C22H30N2O4S/c1-14-10-15(2)13-24(12-14)29(26,27)18-8-9-20-19(11-18)16(3)21(28-20)22(25)23-17-6-4-5-7-17/h8-9,11,14-15,17H,4-7,10,12-13H2,1-3H3,(H,23,25)
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Similars

Article
PubMed
90n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86884
PNG
(CAS_15998702 | N-cyclopentyl-5-(3,5-dimethylpiperi...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCC3)c(C)c2c1
Show InChI InChI=1S/C22H30N2O4S/c1-14-10-15(2)13-24(12-14)29(26,27)18-8-9-20-19(11-18)16(3)21(28-20)22(25)23-17-6-4-5-7-17/h8-9,11,14-15,17H,4-7,10,12-13H2,1-3H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.40E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4
More data for this
Ligand-Target Pair