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BDBM50198688 CHEMBL3929137

SMILES: Fc1ccc(\C=C2/CCCCc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCN(CC2)c2ccccn2)cc1

InChI Key: InChIKey=GYTHQNSLEWSFBB-ZBJSNUHESA-N

Data: 2 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 2 hits for monomerid = 50198688   
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))
BDBM50198688
PNG
(CHEMBL3929137)
Show SMILES Fc1ccc(\C=C2/CCCCc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C32H30Cl2FN5O/c33-23-10-13-28(27(34)20-23)40-31-22(19-21-8-11-24(35)12-9-21)5-1-2-6-26(31)30(38-40)32(41)37-25-14-17-39(18-15-25)29-7-3-4-16-36-29/h3-4,7-13,16,19-20,25H,1-2,5-6,14-15,17-18H2,(H,37,41)/b22-19+
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Similars

Article
PubMed
n/an/an/an/a 28n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...


Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50198688
PNG
(CHEMBL3929137)
Show SMILES Fc1ccc(\C=C2/CCCCc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C32H30Cl2FN5O/c33-23-10-13-28(27(34)20-23)40-31-22(19-21-8-11-24(35)12-9-21)5-1-2-6-26(31)30(38-40)32(41)37-25-14-17-39(18-15-25)29-7-3-4-16-36-29/h3-4,7-13,16,19-20,25H,1-2,5-6,14-15,17-18H2,(H,37,41)/b22-19+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...


Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair