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BDBM50392562 CHEMBL2152814

SMILES: Cc1cccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@]3(C)C4)c(=O)c3ccc(Sc4ccccc4)cc23)c1

InChI Key: InChIKey=QJMDAWQCQFXIKI-HZQOUZEWSA-N

Data: 2 KI

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 = 50392562   
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))
BDBM50392562
PNG
(CHEMBL2152814)
Show SMILES Cc1cccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@]3(C)C4)c(=O)c3ccc(Sc4ccccc4)cc23)c1 |r|
Show InChI InChI=1S/C34H36N2O2S/c1-22-9-8-10-23(17-22)20-36-21-28(31(38)35-32-33(2,3)24-15-16-34(32,4)19-24)30(37)27-14-13-26(18-29(27)36)39-25-11-6-5-7-12-25/h5-14,17-18,21,24,32H,15-16,19-20H2,1-4H3,(H,35,38)/t24?,32-,34-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
139n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392562
PNG
(CHEMBL2152814)
Show SMILES Cc1cccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@]3(C)C4)c(=O)c3ccc(Sc4ccccc4)cc23)c1 |r|
Show InChI InChI=1S/C34H36N2O2S/c1-22-9-8-10-23(17-22)20-36-21-28(31(38)35-32-33(2,3)24-15-16-34(32,4)19-24)30(37)27-14-13-26(18-29(27)36)39-25-11-6-5-7-12-25/h5-14,17-18,21,24,32H,15-16,19-20H2,1-4H3,(H,35,38)/t24?,32-,34-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
669n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair