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BDBM50291388 3-[(E)-4-(4-Adamantan-1-yl-3-hydroxy-phenyl)-1-((E)-2-carboxy-1-methyl-vinyl)-but-1-enyl]-benzoic acid::CHEMBL444079

SMILES: C\C(=C/C(O)=O)\C(=C\CCc1ccc(c(O)c1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2)\c1cccc(c1)C(O)=O

InChI Key: InChIKey=BUERRQGWQZXDOG-JBVROQKXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50291388   
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
cPLA2 C2


(Homo sapiens (Human))
BDBM50291388
PNG
(3-[(E)-4-(4-Adamantan-1-yl-3-hydroxy-phenyl)-1-((E...)
Show SMILES C\C(=C/C(O)=O)\C(=C\CCc1ccc(c(O)c1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2)\c1cccc(c1)C(O)=O
Show InChI InChI=1S/C31H34O5/c1-19(10-29(33)34)26(24-5-3-6-25(15-24)30(35)36)7-2-4-20-8-9-27(28(32)14-20)31-16-21-11-22(17-31)13-23(12-21)18-31/h3,5-10,14-15,21-23,32H,2,4,11-13,16-18H2,1H3,(H,33,34)(H,35,36)/b19-10+,26-7-/t21-,22+,23-,31?
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)


Bioorg Med Chem Lett 7: 793-798 (1997)


Article DOI: 10.1016/S0960-894X(97)00110-8
BindingDB Entry DOI: 10.7270/Q26D5T0F
More data for this
Ligand-Target Pair