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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone acetyltransferase KAT5' and Ligand = 'BDBM50255527'   
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
Histone acetyltransferase KAT5


(Homo sapiens (Human))
BDBM50255527
PNG
(Ac-SGRGKGGKGLGKGGAK(CoA)RHRK | CHEMBL504265)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:134.135,88.88,132.132,42.49,29.34,153.155,113.113,57.59,174.177,wD:129.128,131.140,4.4,71.70,93.92,164.166,185.188,12.17,(30.67,-41.69,;30.67,-40.13,;32,-39.37,;29.35,-39.36,;29.36,-37.8,;28.03,-37.02,;26.75,-37.88,;26.74,-39.43,;25.41,-37.1,;24.02,-37.78,;22.68,-37.02,;22.69,-35.49,;21.33,-37.79,;21.32,-39.35,;22.65,-40.11,;22.64,-41.67,;23.97,-42.44,;23.87,-43.9,;20,-37.02,;18.66,-37.79,;18.66,-39.32,;17.32,-37,;15.97,-37.76,;14.64,-36.99,;14.63,-35.44,;13.31,-37.76,;11.98,-36.98,;10.65,-37.76,;10.64,-39.29,;9.31,-36.98,;9.31,-35.43,;10.66,-34.65,;10.66,-33.13,;12.01,-32.35,;12.01,-30.76,;7.94,-37.69,;6.59,-36.95,;6.59,-35.4,;5.26,-37.71,;3.95,-36.9,;2.66,-37.74,;2.66,-39.27,;1.32,-36.95,;1.32,-35.4,;2.67,-34.63,;2.67,-33.09,;3.94,-32.22,;4.02,-30.68,;2.63,-29.8,;5.31,-29.81,;-.07,-37.62,;-1.43,-36.91,;-1.43,-35.35,;-2.75,-37.67,;-4.05,-36.84,;-5.31,-37.74,;-5.31,-39.27,;-6.66,-36.95,;-6.64,-35.4,;-5.3,-34.63,;-8,-37.7,;-9.34,-36.95,;-10.66,-37.71,;-9.34,-35.39,;30.68,-37.05,;30.69,-35.52,;32.02,-37.81,;33.39,-37.13,;34.73,-37.91,;34.73,-39.46,;36.02,-37.07,;37.34,-37.87,;37.35,-39.42,;38.66,-40.19,;38.66,-41.74,;39.98,-42.51,;39.91,-44,;38.67,-37.1,;38.68,-35.57,;40.01,-37.86,;41.39,-37.16,;42.72,-37.94,;42.72,-39.5,;44.02,-37.11,;45.34,-37.9,;46.66,-37.14,;46.67,-35.61,;48.01,-37.89,;49.38,-37.18,;49.38,-35.65,;50.72,-37.96,;50.71,-39.51,;52.02,-37.14,;53.34,-37.93,;53.34,-39.48,;54.66,-40.25,;54.66,-41.8,;55.98,-42.57,;55.92,-44.11,;54.6,-44.91,;54.59,-46.45,;53.26,-44.13,;51.92,-44.9,;51.91,-46.43,;50.57,-47.2,;50.52,-48.74,;51.86,-49.52,;53.19,-48.75,;51.85,-51.07,;53.18,-51.84,;53.15,-53.38,;51.81,-54.15,;50.47,-53.37,;51.8,-55.68,;50.42,-56.44,;53.13,-56.45,;54.47,-57.22,;52.35,-57.79,;53.9,-55.13,;55.45,-55.13,;56.22,-53.81,;56.91,-52.5,;54.89,-53.04,;57.56,-54.59,;58.89,-53.83,;60.17,-53.04,;58.13,-52.49,;59.67,-55.17,;58.89,-56.51,;59.65,-57.84,;59,-59.26,;60.14,-60.28,;61.48,-59.53,;62.78,-60.2,;61.17,-58.02,;62.22,-56.89,;63.72,-57.22,;65.15,-57.57,;64,-55.71,;63.38,-58.73,;59.97,-61.82,;58.64,-62.58,;58.95,-64.09,;60.47,-64.26,;61.37,-65.51,;60.73,-66.91,;62.91,-65.37,;63.54,-63.97,;62.64,-62.71,;61.11,-62.86,;54.67,-37.17,;54.68,-35.63,;56.01,-37.93,;57.37,-37.2,;57.37,-35.67,;58.72,-34.9,;58.73,-33.37,;60.05,-32.57,;60.08,-31.03,;58.72,-30.23,;61.38,-30.24,;58.7,-37.98,;58.7,-39.54,;60.02,-37.18,;61.34,-37.97,;61.33,-39.52,;62.65,-40.29,;64.03,-39.7,;65.07,-40.84,;64.3,-42.17,;62.8,-41.83,;62.66,-37.21,;62.66,-35.68,;64,-37.97,;65.34,-37.21,;65.34,-35.69,;66.69,-34.92,;66.7,-33.39,;68.04,-32.63,;68.07,-31.09,;66.7,-30.33,;69.4,-30.32,;66.68,-38,;66.68,-39.55,;68.01,-37.23,;69.34,-38,;69.34,-39.56,;70.67,-40.32,;70.67,-41.88,;71.98,-42.65,;71.98,-44.2,;70.67,-37.24,;72.02,-38.02,;70.69,-35.71,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(144-82(161)50-131-93(168)64(22-9-14-31-110)140-78(157)46-127-76(155)44-129-91(166)62(20-7-12-29-108)141-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)95(170)132-48-80(159)142-63(21-8-13-30-109)92(167)128-43-75(154)126-45-77(156)138-59(3)90(165)145-66(97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111)23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,167)(H,129,166)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,158)(H,142,159)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.73E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tip60 (1-513) expressed in Escherichia coli BL21 (DE3) by liquid scintillation


Bioorg Med Chem 17: 1381-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.014
BindingDB Entry DOI: 10.7270/Q2K35VKS
More data for this
Ligand-Target Pair