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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 = 'BDBM50535490'   
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))
BDBM50535490
PNG
(CHEMBL4451091)
Show SMILES CN(C)c1ncc(cc1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(O)cc1
Show InChI InChI=1S/C20H20N2O3S/c1-22(2)20-19(15-6-10-18(11-7-15)26(3,24)25)12-16(13-21-20)14-4-8-17(23)9-5-14/h4-13,23H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.31E+3n/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
Misshapen-like kinase 1


(Homo sapiens (Human))
BDBM50535490
PNG
(CHEMBL4451091)
Show SMILES CN(C)c1ncc(cc1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(O)cc1
Show InChI InChI=1S/C20H20N2O3S/c1-22(2)20-19(15-6-10-18(11-7-15)26(3,24)25)12-16(13-21-20)14-4-8-17(23)9-5-14/h4-13,23H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/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