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BDBM50087285 4-Methylcarbamoyl-4-[2-(2-tetradecyl-hexadecanoylamino)-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-propionylamino]-butyric acid::CHEMBL284929

SMILES: CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC

InChI Key: InChIKey=AMQIBXWOWKDTLX-YCTXLLNISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50087285   
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
Selectin E


(Mus musculus)		BDBM50087285
PNG
(4-Methylcarbamoyl-4-[2-(2-tetradecyl-hexadecanoyla...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39-,40+,41?,45-/m1/s1
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Evaluated for the inhibitory activity against Selectin E

J Med Chem 43: 1476-83 (2000)


BindingDB Entry DOI: 10.7270/Q2K64JRZ
More data for this
Ligand-Target Pair