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BDBM50234807 CHEMBL1738733

SMILES: O=C1N=C(Nc2ccccc2)N=C1Cc1ccc2OCOc2c1

InChI Key:

Data: 2 IC50

PDB links: 4 PDB IDs match 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 = 50234807   
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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50234807
PNG
(CHEMBL1738733)
Show SMILES O=C1N=C(Nc2ccccc2)N=C1Cc1ccc2OCOc2c1 |c:12,t:2|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
n/an/a 7.60n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL




Eur J Med Chem 126: 754-761 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50234807
PNG
(CHEMBL1738733)
Show SMILES O=C1N=C(Nc2ccccc2)N=C1Cc1ccc2OCOc2c1 |c:12,t:2|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PubMed
n/an/a 37n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL




Eur J Med Chem 126: 754-761 (2017)

More data for this
Ligand-Target Pair