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Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM109207'   
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
Aurora kinase A


(Homo sapiens (Human))
BDBM109207
PNG
(Compound II: Ac-D-Arg6-D-Lys(PromoFluor 647)-D-Lys...)
Show SMILES [#6]-[#6]-[#7]-1\[#6](=[#6]\[#6]=[#6]\[#6]=[#6]\[#6]2=[#7+](-[#6]-[#6])-c3ccc(cc3C2([#6])[#6])S([#8-])(=O)=O)C([#6])([#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c2ccc(-[#7]-c3ncc4-[#6]-[#7]=[#6](-c5cc(Cl)ccc5-c4n3)-c3c(F)cccc3-[#8]-[#6])cc2-[#8]-[#6])-[#6](-[#7])=O)c2cc(ccc-12)S([#8-])(=O)=O |c:9,132|
Show InChI InChI=1S/C109H155ClFN35O19S2/c1-9-145-82-45-41-66(166(158,159)160)58-71(82)108(4,5)86(145)36-12-11-13-37-87-109(6,72-59-67(167(161,162)163)42-46-83(72)146(87)10-2)47-19-38-88(148)125-48-16-15-28-76(95(152)137-74(92(112)149)27-14-17-49-126-93(150)69-44-40-65(57-85(69)165-8)136-107-134-61-63-60-133-91(89-73(111)26-18-35-84(89)164-7)70-56-64(110)39-43-68(70)90(63)144-107)138-96(153)78(31-22-52-129-103(117)118)140-98(155)80(33-24-54-131-105(121)122)142-100(157)81(34-25-55-132-106(123)124)143-99(156)79(32-23-53-130-104(119)120)141-97(154)77(30-21-51-128-102(115)116)139-94(151)75(135-62(3)147)29-20-50-127-101(113)114/h11-13,18,26,35-37,39-46,56-59,61,74-81H,9-10,14-17,19-25,27-34,38,47-55,60H2,1-8H3,(H38-,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,134,135,136,137,138,139,140,141,142,143,144,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163)/p+5
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.20n/an/an/an/a30



University of Tartu, Ravila 14A, 50411 Tartu (Estonia)



Assay Description
A stock solution was prepared containing complex of Aurora A and Compound I (final total concentrations of 6nM and 5nM, respectively). Separately, se...


Chembiochem 15: 443-50 (2014)


Article DOI: 10.1002/cbic.201300613
BindingDB Entry DOI: 10.7270/Q2028Q58
More data for this
Ligand-Target Pair