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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Misshapen-like kinase 1' and Ligand = 'BDBM50535489'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Misshapen-like kinase 1


(Homo sapiens (Human))
BDBM50535489
PNG
(CHEMBL4471729)
Show SMILES Nc1ncc(Br)c2ccc(nc12)-c1ccnc(F)c1
Show InChI InChI=1S/C13H8BrFN4/c14-9-6-18-13(16)12-8(9)1-2-10(19-12)7-3-4-17-11(15)5-7/h1-6H,(H2,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human full length MINK1(1-1332)-G5-Avi-6His-Flag expressed in baculovirus-infected sf21 cells using His6-SMAD1 as substrate preincubate...


Bioorg Med Chem Lett 29: 1962-1967 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.032
BindingDB Entry DOI: 10.7270/Q2PZ5DBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Misshapen-like kinase 1


(Homo sapiens (Human))
BDBM50535489
PNG
(CHEMBL4471729)
Show SMILES Nc1ncc(Br)c2ccc(nc12)-c1ccnc(F)c1
Show InChI InChI=1S/C13H8BrFN4/c14-9-6-18-13(16)12-8(9)1-2-10(19-12)7-3-4-17-11(15)5-7/h1-6H,(H2,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 6His-TEV-Avi-MINK1(1 to 328)-GNS expressed in baculovirus-infected sf21 cells using LRRKtide as substrate preincubated for 30 min...


Bioorg Med Chem Lett 29: 1962-1967 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.032
BindingDB Entry DOI: 10.7270/Q2PZ5DBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)