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BDBM50205187 (E)-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-phenylethenesulfonamide::CHEMBL231342

SMILES: C[C@H](NS(=O)(=O)\C=C\c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N

InChI Key: InChIKey=WPRAKPWZKPAUDQ-PVWVTXCKSA-N

Data: 2 IC50

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 2 hits for monomerid = 50205187   
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))
BDBM50205187
PNG
((E)-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl...)
Show SMILES C[C@H](NS(=O)(=O)\C=C\c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C25H23ClN2O2S/c1-19(28-31(29,30)15-14-20-6-3-2-4-7-20)25(17-21-10-12-24(26)13-11-21)23-9-5-8-22(16-23)18-27/h2-16,19,25,28H,17H2,1H3/b15-14+/t19-,25+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.08E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205187
PNG
((E)-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl...)
Show SMILES C[C@H](NS(=O)(=O)\C=C\c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C25H23ClN2O2S/c1-19(28-31(29,30)15-14-20-6-3-2-4-7-20)25(17-21-10-12-24(26)13-11-21)23-9-5-8-22(16-23)18-27/h2-16,19,25,28H,17H2,1H3/b15-14+/t19-,25+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G
More data for this
Ligand-Target Pair