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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 = 'BDBM50535491'   
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))
BDBM50535491
PNG
(CHEMBL4558962)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H20N4O/c1-14(2)26-22(27)18-9-7-16(8-10-18)19-11-20(21(24)25-13-19)17-5-3-15(12-23)4-6-17/h3-11,13-14H,1-2H3,(H2,24,25)(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/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))
BDBM50535491
PNG
(CHEMBL4558962)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H20N4O/c1-14(2)26-22(27)18-9-7-16(8-10-18)19-11-20(21(24)25-13-19)17-5-3-15(12-23)4-6-17/h3-11,13-14H,1-2H3,(H2,24,25)(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 126n/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