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2 similar compounds to monomer 50234923

Compile data set for download or QSAR
Wt: 464.4
BDBM50269635

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50269635   
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50269635
PNG
(CHEMBL463571 | leucanthin B)
Show SMILES C[C@H]1O[C@@]1(C)C(=O)O[C@H]1[C@@H]2[C@H](OC(=O)C2=C)[C@H]2O[C@@]2(C)[C@@H]2O[C@@H]2\C=C(/[C@@H]1OC(C)=O)C(O)=O
Show InChI InChI=1/C22H24O11/c1-7-12-14(31-20(27)21(4)8(2)32-21)13(28-9(3)23)10(18(24)25)6-11-16(29-11)22(5)17(33-22)15(12)30-19(7)26/h6,8,11-17H,1H2,2-5H3,(H,24,25)/b10-6+/t8-,11-,12-,13+,14+,15+,16-,17-,21-,22+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of COX2


J Nat Prod 68: 985-91 (2005)


Article DOI: 10.1021/np049655u
BindingDB Entry DOI: 10.7270/Q27S7PN5
More data for this
Ligand-Target Pair