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SMILES: CN1C[C@@H](F)[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O

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 = 50599248   
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
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50599248
PNG
(CHEMBL5179972)
Show SMILES CN1C[C@@H](F)[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 128n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50599248
PNG
(CHEMBL5179972)
Show SMILES CN1C[C@@H](F)[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50599248
PNG
(CHEMBL5179972)
Show SMILES CN1C[C@@H](F)[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.640n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC
More data for this
Ligand-Target Pair