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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50129125   
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


(Homo sapiens (Human))
BDBM50129125
PNG
(CHEMBL3629245 | US10434085, Compound 6)
Show SMILES COc1cc2\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC(=O)c2c(O)c1Br |r,c:14,t:5|
Show InChI InChI=1S/C19H21BrO7/c1-10-5-3-7-12(21)17(23)13(22)8-4-6-11-9-14(26-2)16(20)18(24)15(11)19(25)27-10/h3-4,6-7,9-10,13,17,22-24H,5,8H2,1-2H3/b6-4+,7-3-/t10-,13-,17+/m0/s1
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PC cid
PC sid
UniChem

Patents

US Patent
n/an/a 2.60E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

US Patent


Assay Description
The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...


US Patent US10434085 (2019)


BindingDB Entry DOI: 10.7270/Q2SB483C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50129125
PNG
(CHEMBL3629245 | US10434085, Compound 6)
Show SMILES COc1cc2\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC(=O)c2c(O)c1Br |r,c:14,t:5|
Show InChI InChI=1S/C19H21BrO7/c1-10-5-3-7-12(21)17(23)13(22)8-4-6-11-9-14(26-2)16(20)18(24)15(11)19(25)27-10/h3-4,6-7,9-10,13,17,22-24H,5,8H2,1-2H3/b6-4+,7-3-/t10-,13-,17+/m0/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.037
BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair