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SMILES: COc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(Cc1ncoc1C)c2=O)-c1ccc(F)cc1

InChI Key:

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 3 hits for monomerid = 616107   
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
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM616107
PNG
(US20230271964, Example 1-64)
Show SMILES COc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(Cc1ncoc1C)c2=O)-c1ccc(F)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.251n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2251P9N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM616107
PNG
(US20230271964, Example 1-64)
Show SMILES COc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(Cc1ncoc1C)c2=O)-c1ccc(F)cc1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
316n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2251P9N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM616107
PNG
(US20230271964, Example 1-64)
Show SMILES COc1cc(cc(CO)n1)-c1c(nc(N)n2c1nn(Cc1ncoc1C)c2=O)-c1ccc(F)cc1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
4.08E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2251P9N
More data for this
Ligand-Target Pair