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BDBM50427403 CHEMBL2326309

SMILES: CCN(CC)c1ccc(CN([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)S(=O)(=O)c2ccc(OC)cc2)cc1

InChI Key: InChIKey=ZMBWVAUSVZVSNH-YJJGEVPSSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50427403   
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))
BDBM50427403
PNG
(CHEMBL2326309)
Show SMILES CCN(CC)c1ccc(CN([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)S(=O)(=O)c2ccc(OC)cc2)cc1 |r,TLB:18:13:20:16.17.19,18:17:14.13.12:20|
Show InChI InChI=1S/C28H38N2O3S/c1-4-29(5-2)25-8-6-21(7-9-25)20-30(34(31,32)27-12-10-26(33-3)11-13-27)28-17-22-14-23(18-28)16-24(15-22)19-28/h6-13,22-24H,4-5,14-20H2,1-3H3/t22-,23+,24-,28-
PDB

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KEGG

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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
137n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis


J Med Chem 56: 2045-58 (2013)


Article DOI: 10.1021/jm3017464
BindingDB Entry DOI: 10.7270/Q2BK1DPW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50427403
PNG
(CHEMBL2326309)
Show SMILES CCN(CC)c1ccc(CN([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)S(=O)(=O)c2ccc(OC)cc2)cc1 |r,TLB:18:13:20:16.17.19,18:17:14.13.12:20|
Show InChI InChI=1S/C28H38N2O3S/c1-4-29(5-2)25-8-6-21(7-9-25)20-30(34(31,32)27-12-10-26(33-3)11-13-27)28-17-22-14-23(18-28)16-24(15-22)19-28/h6-13,22-24H,4-5,14-20H2,1-3H3/t22-,23+,24-,28-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.30E+3n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor (unknown origin) after 1 hr by scintillation counting analysis


J Med Chem 56: 2045-58 (2013)


Article DOI: 10.1021/jm3017464
BindingDB Entry DOI: 10.7270/Q2BK1DPW
More data for this
Ligand-Target Pair