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PubMed code 11563928

Compile data set for download or QSAR
Found 2 hits 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
E-selectin


(Homo sapiens (Human))
BDBM50422365
PNG
(CHEMBL2303822)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C27H46O13/c1-13-19(29)21(31)22(32)26(36-13)38-15-9-5-6-10-16(15)39-27-23(33)24(20(30)18(12-28)40-27)37-17(25(34)35)11-14-7-3-2-4-8-14/h13-24,26-33H,2-12H2,1H3,(H,34,35)/t13-,15+,16+,17-,18-,19+,20-,21-,22-,23-,24-,26-,27+/m0/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



Griffith University (Gold Coast Campus)

Curated by ChEMBL


Assay Description
Inhibitory activity against selectin E was determined


J Med Chem 44: 3292-301 (2001)


BindingDB Entry DOI: 10.7270/Q2CC11D0
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))
BDBM50104841
PNG
(2-[2-(2-methyltetrahydro-2H-3,4,5pyrantoilmethyl-6...)
Show SMILES CC1OC(CC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@@H](O)CO)C([O-])=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C32H54N2O22/c1-9-20(42)24(46)22(44)15(51-9)4-12-18(33-10(2)38)29(48)52-17(8-37)26(12)54-30-25(47)28(23(45)16(7-36)53-30)56-32(31(49)50)5-13(40)19(34-11(3)39)27(55-32)21(43)14(41)6-35/h9,12-30,35-37,40-48H,4-8H2,1-3H3,(H,33,38)(H,34,39)(H,49,50)/p-1/t9?,12?,13?,14-,15?,16?,17?,18?,19?,20?,21+,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.00E+5n/an/an/an/an/an/a



Griffith University (Gold Coast Campus)

Curated by ChEMBL


Assay Description
Inhibitory activity against selectin E was determined


J Med Chem 44: 3292-301 (2001)


BindingDB Entry DOI: 10.7270/Q2CC11D0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%