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SMILES: COc1cccc(Cn2cc3c(N)nc(nc3n2)-c2ccsn2)c1

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 4 hits for monomerid = 626015   
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))
BDBM626015
PNG
(US11786528, Example 10)
Show SMILES COc1cccc(Cn2cc3c(N)nc(nc3n2)-c2ccsn2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM626015
PNG
(US11786528, Example 10)
Show SMILES COc1cccc(Cn2cc3c(N)nc(nc3n2)-c2ccsn2)c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM626015
PNG
(US11786528, Example 10)
Show SMILES COc1cccc(Cn2cc3c(N)nc(nc3n2)-c2ccsn2)c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 680n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM626015
PNG
(US11786528, Example 10)
Show SMILES COc1cccc(Cn2cc3c(N)nc(nc3n2)-c2ccsn2)c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 690n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair