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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P-selectin' and Ligand = 'BDBM50214504'   
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))
BDBM50214504
PNG
(CHEMBL3215420)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H]-1-[#8]-[#6@@H](-[#6]-[#8])-[#6@@H](-[#8]-[#6@@H]-2-[#8]-[#6@@H](-[#6]-[#8])-[#6@H](-[#8])-[#6@H](-[#8][C@@]3([#6]-[#6@@H](-[#8])-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6@@H](-[#8]3)-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])[#6](-[#8])=O)-[#6@@H]-2-[#8])-[#6@H](-[#8]-[#6@@H]-2-[#8]-[#6@@H](-[#6])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H]-2-[#8])-[#6@@H]-1-[#7]-[#6](-[#6])=O
Show InChI InChI=1S/C46H78N10O28/c1-14(52-40(75)19(8-25(65)66)55-24(64)10-51-39(74)18(47)6-5-7-50-45(48)49)38(73)56-41-27(54-17(4)61)36(82-42-32(71)31(70)28(67)15(2)78-42)34(23(13-59)79-41)81-43-33(72)37(30(69)22(12-58)80-43)84-46(44(76)77)9-20(62)26(53-16(3)60)35(83-46)29(68)21(63)11-57/h14-15,18-23,26-37,41-43,57-59,62-63,67-72H,5-13,47H2,1-4H3,(H,51,74)(H,52,75)(H,53,60)(H,54,61)(H,55,64)(H,56,73)(H,65,66)(H,76,77)(H4,48,49,50)/t14-,15-,18-,19-,20+,21+,22-,23-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,41+,42-,43-,46-/m0/s1
PDB
MMDB

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Similars

Article
n/an/a 2.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of HL60 cell adhesion to recombinant P-selectin-IgG fusion protein obtained from transfected COS cells


Bioorg Med Chem Lett 6: 509-514 (1996)


Article DOI: 10.1016/0960-894X(96)00057-1
BindingDB Entry DOI: 10.7270/Q27944P1
More data for this
Ligand-Target Pair