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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50459204   
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
Activated CDC42 kinase 1


(Homo sapiens (Human))
BDBM50459204
PNG
(CHEMBL4206139)
Show SMILES Cc1ccc(Nc2ncc3CN(C(=O)N(Cc4ccccc4)c3n2)c2cc(NC(=O)c3ccc(C)c(c3)C(F)(F)F)ccc2C)cn1
Show InChI InChI=1S/C35H30F3N7O2/c1-21-9-12-25(15-29(21)35(36,37)38)32(46)41-27-13-10-22(2)30(16-27)44-20-26-17-40-33(42-28-14-11-23(3)39-18-28)43-31(26)45(34(44)47)19-24-7-5-4-6-8-24/h4-18H,19-20H2,1-3H3,(H,41,46)(H,40,42,43)
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459204
PNG
(CHEMBL4206139)
Show SMILES Cc1ccc(Nc2ncc3CN(C(=O)N(Cc4ccccc4)c3n2)c2cc(NC(=O)c3ccc(C)c(c3)C(F)(F)F)ccc2C)cn1
Show InChI InChI=1S/C35H30F3N7O2/c1-21-9-12-25(15-29(21)35(36,37)38)32(46)41-27-13-10-22(2)30(16-27)44-20-26-17-40-33(42-28-14-11-23(3)39-18-28)43-31(26)45(34(44)47)19-24-7-5-4-6-8-24/h4-18H,19-20H2,1-3H3,(H,41,46)(H,40,42,43)
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 165n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair