BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50106624'   
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))
BDBM50106624
PNG
(CHEMBL3600870)
Show SMILES CN(C)c1ccc2C(C3C=CC(C=C3Oc2c1)=[N+](C)C)c1ccc(cc1C(O)=O)C(=O)NCCCC[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(cc1)N=[N+]=[N-])NC(=O)CCCCCNC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F)C(N)=O |r,wU:106.110,40.44,62.66,128.132,84.88,wD:73.77,95.99,51.55,36.39,144.154,c:9,12,(27.66,36,;26.6,35.38,;26.6,34.15,;25.26,36.15,;23.93,35.38,;22.6,36.15,;22.59,37.7,;21.26,38.45,;21.26,39.99,;19.92,40.76,;19.92,42.3,;21.25,43.07,;22.59,42.3,;22.59,40.77,;23.92,40,;23.92,38.48,;25.26,37.69,;21.25,44.61,;22.31,45.23,;20.18,45.22,;19.93,37.68,;18.6,38.44,;17.27,37.67,;17.27,36.13,;18.6,35.37,;19.93,36.14,;21.27,35.37,;22.16,35.88,;21.27,34.14,;15.93,35.37,;15.93,34.13,;14.6,36.14,;13.27,35.37,;11.93,36.14,;10.6,35.37,;9.26,36.14,;7.93,35.37,;6.6,36.14,;5.26,35.37,;5.26,34.14,;3.93,36.14,;3.93,37.68,;5.27,38.45,;5.27,39.99,;6.61,40.75,;6.61,42.29,;5.54,42.91,;7.68,42.91,;2.59,35.37,;1.26,36.14,;1.26,37.37,;-.07,35.37,;-.08,33.83,;-1.41,33.06,;-1.42,31.52,;-2.75,30.76,;-2.76,29.22,;-1.69,28.6,;-3.82,28.6,;-1.41,36.14,;-2.74,35.37,;-2.74,34.14,;-4.08,36.14,;-4.07,37.68,;-2.74,38.45,;-2.73,39.99,;-1.4,40.76,;-1.39,42.3,;-2.46,42.92,;-.33,42.91,;-5.41,35.37,;-6.74,36.14,;-6.74,37.37,;-8.08,35.37,;-8.08,33.83,;-9.42,33.07,;-9.42,31.53,;-10.76,30.76,;-10.76,29.22,;-9.7,28.6,;-11.65,28.71,;-9.41,36.14,;-10.75,35.38,;-10.75,34.14,;-12.08,36.15,;-12.08,37.69,;-13.42,38.45,;-13.42,39.99,;-14.75,40.76,;-14.76,42.3,;-13.69,42.92,;-15.82,42.92,;-13.41,35.38,;-14.75,36.15,;-14.75,37.38,;-16.08,35.38,;-16.08,33.84,;-14.75,33.07,;-14.74,31.53,;-13.41,30.76,;-13.41,29.22,;-14.47,28.6,;-12.52,28.71,;-17.42,36.15,;-18.75,35.38,;-18.75,34.15,;-20.08,36.15,;-20.09,37.69,;-21.42,38.46,;-21.42,40,;-22.75,40.77,;-24.09,40,;-24.09,38.46,;-22.76,37.69,;-25.42,40.77,;-25.41,42.31,;-25.41,43.54,;-21.42,35.38,;-22.75,36.15,;-22.75,37.18,;-24.09,35.38,;-25.42,36.15,;-26.75,35.38,;-28.09,36.15,;-29.42,35.38,;-30.76,36.15,;-32.09,35.38,;-32.09,34.15,;-33.42,36.15,;-34.76,35.38,;-34.76,33.84,;-33.43,33.08,;-33.42,31.54,;-34.76,30.76,;-36.09,31.53,;-37.42,30.76,;-38.76,31.52,;-38.9,33.04,;-40.41,33.36,;-41.18,32.03,;-40.14,30.88,;-36.09,33.07,;-34.76,36.88,;-34.76,38.42,;-33.42,39.19,;-32.09,38.42,;-32.09,36.88,;-33.43,40.73,;-34.76,41.5,;-36.09,40.72,;-37.43,41.49,;-37.43,43.03,;-36.1,43.8,;-36.11,45.03,;-34.77,43.04,;-33.7,43.66,;7.93,33.83,;6.87,33.21,;9,33.21,)|
Show InChI InChI=1S/C104H147ClFN37O15S/c1-142(2)63-35-38-67-80(56-63)158-81-57-64(143(3)4)36-39-68(81)84(67)66-37-32-60(55-69(66)95(154)155)87(146)121-44-9-7-20-71(86(107)145)132-88(147)72(21-12-46-123-97(108)109)133-89(148)73(22-13-47-124-98(110)111)134-90(149)74(23-14-48-125-99(112)113)135-91(150)75(24-15-49-126-100(114)115)136-92(151)76(25-16-50-127-101(116)117)137-93(152)77(26-17-51-128-102(118)119)138-94(153)78(54-59-30-33-61(34-31-59)140-141-120)131-83(144)29-6-5-8-45-122-96(156)104(58-62-18-10-28-82(130-62)139-103-129-52-53-159-103)42-40-65(41-43-104)157-79-27-11-19-70(105)85(79)106/h10-11,18-19,27-28,30-39,52-53,55-57,65,67,71-78,84H,5-9,12-17,20-26,29,40-51,54,58H2,1-4H3,(H37-,107,108,109,110,111,112,113,114,115,116,117,118,119,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,144,145,146,147,148,149,150,151,152,153,154,155,156)/p+1/t65-,67?,71-,72+,73+,74+,75+,76+,77+,78+,84?,104-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.730n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Binding affinity to purified recombinant full-length Aurora A (unknown origin) by fluorescence polarisation/anisotropy based equilibrium binding assa...


Bioorg Med Chem Lett 25: 3290-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.060
BindingDB Entry DOI: 10.7270/Q2C53NMT
More data for this
Ligand-Target Pair