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SMILES: [H][C@]12O[C@@]1([H])C(=O)C1=C([C@@H]2O)C2([H])O[C@H](C)C1([H])[C@]1([H])[C@@H](C)OC=C3[C@H](O)[C@@]4([H])O[C@@]4([H])C(=O)[C@@]213

InChI Key: InChIKey=HJZHVRIBNUVKQX-SUKVGBOZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50187112   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50187112
PNG
(CHEMBL3823800)
Show SMILES [H][C@]12O[C@@]1([H])C(=O)C1=C([C@@H]2O)C2([H])O[C@H](C)C1([H])[C@]1([H])[C@@H](C)OC=C3[C@H](O)[C@@]4([H])O[C@@]4([H])C(=O)[C@@]213 |r,c:8,t:26,TLB:24:34:8.7:13.14,32:34:8.7:13.14,9:8:34.18:13.14,THB:20:18:8.7:13.14,5:7:34.18:13.14,15:14:34.18:8.7|
Show InChI InChI=1S/C20H20O8/c1-4-7-8-9(13(23)16-15(27-16)12(8)22)19(26-4)20-6(3-25-5(2)10(7)20)11(21)14-17(28-14)18(20)24/h3-5,7,10-11,13-17,19,21,23H,1-2H3/t4-,5-,7?,10+,11+,13+,14-,15+,16-,17-,19?,20+/m1/s1
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PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TAK1 fused with TAB1 using MKK6 as substrate in presence of gamma-[33P]ATP

Bioorg Med Chem 24: 4206-4217 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair