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SMILES: COc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1

InChI Key:

PDB links: 1 PDB ID matches this monomer.

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 = 50602907   
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
Tau-tubulin kinase 2


(Homo sapiens (Human))
BDBM50602907
PNG
(CHEMBL5193488)
Show SMILES COc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 970n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tau-tubulin kinase 1


(Homo sapiens (Human))
BDBM50602907
PNG
(CHEMBL5193488)
Show SMILES COc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 340n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI: 10.7270/Q2R215GV
More data for this
Ligand-Target Pair