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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1' and Ligand = 'BDBM50187114'   
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
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50187114
PNG
(CHEMBL3823303)
Show SMILES CCc1cc(Nc2ncc(F)c(n2)-c2cnc3cccnn23)cc(OCCN2CCC(O)CC2)c1
Show InChI InChI=1S/C25H28FN7O2/c1-2-17-12-18(14-20(13-17)35-11-10-32-8-5-19(34)6-9-32)30-25-28-15-21(26)24(31-25)22-16-27-23-4-3-7-29-33(22)23/h3-4,7,12-16,19,34H,2,5-6,8-11H2,1H3,(H,28,30,31)
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human TAK1 (1 to 303 amino acids)/human TAB1 (437 to 504 amino acids) expressed in baculovirus expression system ...


Eur J Med Chem 163: 660-670 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.025
BindingDB Entry DOI: 10.7270/Q2280C2F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))
BDBM50187114
PNG
(CHEMBL3823303)
Show SMILES CCc1cc(Nc2ncc(F)c(n2)-c2cnc3cccnn23)cc(OCCN2CCC(O)CC2)c1
Show InChI InChI=1S/C25H28FN7O2/c1-2-17-12-18(14-20(13-17)35-11-10-32-8-5-19(34)6-9-32)30-25-28-15-21(26)24(31-25)22-16-27-23-4-3-7-29-33(22)23/h3-4,7,12-16,19,34H,2,5-6,8-11H2,1H3,(H,28,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human TAK1 (1 to 303 amino acids)/human TAB1 (437 to 504 amino acids) expressed in baculovirus expression system ...


Eur J Med Chem 163: 660-670 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.025
BindingDB Entry DOI: 10.7270/Q2280C2F
More data for this
Ligand-Target Pair