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SMILES: Cc1nc(Cn2nc3c(-c4cc(C)nc(CO)c4)c(nc(N)n3c2=O)-c2ccc(F)cc2)c(C)o1

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 2 hits for monomerid = 616096   
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))
BDBM616096
PNG
(US20230271964, Example 1-53)
Show SMILES Cc1nc(Cn2nc3c(-c4cc(C)nc(CO)c4)c(nc(N)n3c2=O)-c2ccc(F)cc2)c(C)o1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.631n/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))
BDBM616096
PNG
(US20230271964, Example 1-53)
Show SMILES Cc1nc(Cn2nc3c(-c4cc(C)nc(CO)c4)c(nc(N)n3c2=O)-c2ccc(F)cc2)c(C)o1
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