BindingDB logo
myBDB logout

BDBM50129083 CHEMBL3628303

SMILES: [H][C@]12C\C=C\C3=CC(OC)=CC(O)C3C(=O)O[C@@H](C)CC(CC(=O)[C@H]1O)O2

InChI Key: InChIKey=KIBJDJJXGWIFNI-AEHVWFIESA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50129083   
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))
BDBM50129083
PNG
(CHEMBL3628303)
Show SMILES COC1=CC(O)C2C(=C1)\C=C\C[C@@H]1OC(CC(=O)[C@H]1O)C[C@H](C)OC2=O
Show InChI InChI=1S/C19H24O7/c1-10-6-13-9-15(21)18(22)16(26-13)5-3-4-11-7-12(24-2)8-14(20)17(11)19(23)25-10/h3-4,7-8,10,13-14,16-18,20,22H,5-6,9H2,1-2H3/b4-3+/t10-,13?,14?,16-,17?,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/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