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Articleid 50030017

Compile data set for download or QSAR
Found 1 hit of Enzyme Inhibition Constant Data   
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
P-selectin


(Homo sapiens (Human))
BDBM50290267
PNG
((5R,9S,13S,14R)-5,9,13-trimethyl-14-{[3,4,5-trihyd...)
Show SMILES C[C@]12C[C@@]3(C[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)CCC1[C@@](C)(CCC[C@@]1(C)C(O)=O)C3CC2 |TLB:6:5:2:31.32.33|
Show InChI InChI=1S/C26H42O8/c1-23-9-5-16-24(2)7-4-8-25(3,22(31)32)15(24)6-10-26(16,13-23)11-17(23)34-21-20(30)19(29)18(28)14(12-27)33-21/h14-21,27-30H,4-13H2,1-3H3,(H,31,32)/t14?,15?,16?,17-,18?,19?,20?,21?,23+,24-,25-,26?/m1/s1
PDB
MMDB

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PC cid
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UniChem

Similars

Article
n/an/a 6.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against P-selectin was determined


Bioorg Med Chem Lett 7: 2485-2490 (1997)


Article DOI: 10.1016/S0960-894X(97)10022-1
BindingDB Entry DOI: 10.7270/Q2J38SKS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%