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BDBM50198743 CHEMBL3893586

SMILES: COc1ccc(\C=C2/CN(Cc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)N[C@H](C)c2ccccc2)C(=O)Cn2ccnc2)cc1

InChI Key: InChIKey=YTPBKNZXOGXDKV-NJRDNMGOSA-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 = 50198743   
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))
BDBM50198743
PNG
(CHEMBL3893586)
Show SMILES COc1ccc(\C=C2/CN(Cc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)N[C@H](C)c2ccccc2)C(=O)Cn2ccnc2)cc1 |r|
Show InChI InChI=1S/C34H30Cl2N6O3/c1-22(24-6-4-3-5-7-24)38-34(44)32-28-19-41(31(43)20-40-15-14-37-21-40)18-25(16-23-8-11-27(45-2)12-9-23)33(28)42(39-32)30-13-10-26(35)17-29(30)36/h3-17,21-22H,18-20H2,1-2H3,(H,38,44)/b25-16+/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 370n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor transfected in HEK293 cells assessed as increase of forskolin-induced cAMP production incubated for 30...


Bioorg Med Chem Lett 26: 5597-5601 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.026
BindingDB Entry DOI: 10.7270/Q2GM898H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198743
PNG
(CHEMBL3893586)
Show SMILES COc1ccc(\C=C2/CN(Cc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)N[C@H](C)c2ccccc2)C(=O)Cn2ccnc2)cc1 |r|
Show InChI InChI=1S/C34H30Cl2N6O3/c1-22(24-6-4-3-5-7-24)38-34(44)32-28-19-41(31(43)20-40-15-14-37-21-40)18-25(16-23-8-11-27(45-2)12-9-23)33(28)42(39-32)30-13-10-26(35)17-29(30)36/h3-17,21-22H,18-20H2,1-2H3,(H,38,44)/b25-16+/t22-/m1/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/an/an/a 5n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor transfected in HEK293 cells assessed as increase of forskolin-induced cAMP production incubated for 30...


Bioorg Med Chem Lett 26: 5597-5601 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.026
BindingDB Entry DOI: 10.7270/Q2GM898H
More data for this
Ligand-Target Pair