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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone acetyltransferase p300' and Ligand = 'BDBM50255525'   
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 p300


(Homo sapiens (Human))
BDBM50255525
PNG
(Ac-SGRGKGGK(CoA)GLGKGGAKRHRK | CHEMBL448227)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[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)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](CCCCN)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:139.142,53.54,51.51,93.103,80.88,153.155,32.32,108.113,174.177,wD:48.47,50.59,4.4,122.124,144.146,164.166,185.188,12.71,(30.94,-27.66,;30.94,-26.11,;32.27,-25.35,;29.62,-25.34,;29.62,-23.78,;28.29,-23.01,;27,-23.86,;26.99,-25.41,;25.66,-23.07,;24.28,-23.77,;22.95,-22.99,;22.96,-21.46,;21.6,-23.77,;21.59,-25.32,;22.92,-26.09,;22.91,-27.64,;24.24,-28.41,;24.13,-29.95,;22.85,-30.79,;22.84,-32.34,;21.51,-30.01,;20.16,-30.78,;20.16,-32.32,;18.81,-33.09,;18.72,-34.63,;20.05,-35.4,;21.38,-34.64,;20.04,-36.96,;21.37,-37.73,;21.34,-39.27,;20,-40.04,;18.66,-39.26,;19.99,-41.57,;18.61,-42.33,;21.32,-42.33,;22.66,-43.11,;20.54,-43.68,;22.09,-41.02,;23.64,-41.02,;24.41,-39.69,;25.09,-38.34,;23.08,-38.93,;25.75,-40.48,;27.08,-39.72,;28.36,-38.93,;26.32,-38.38,;27.86,-41.06,;27.08,-42.4,;27.84,-43.73,;27.19,-45.15,;28.33,-46.17,;29.67,-45.42,;30.96,-46.03,;29.36,-43.91,;30.41,-42.78,;31.91,-43.11,;33.34,-43.43,;32.19,-41.6,;31.57,-44.61,;28.16,-47.71,;26.83,-48.47,;27.14,-49.98,;28.66,-50.15,;29.56,-51.4,;28.92,-52.8,;31.09,-51.26,;31.73,-49.85,;30.83,-48.59,;29.3,-48.75,;20.27,-22.99,;18.93,-23.76,;18.92,-25.29,;17.59,-22.98,;16.24,-23.73,;14.9,-22.97,;14.9,-21.41,;13.57,-23.73,;12.24,-22.95,;10.92,-23.73,;10.91,-25.27,;9.58,-22.96,;9.58,-21.4,;10.93,-20.63,;10.93,-19.1,;12.28,-18.33,;12.27,-16.74,;8.21,-23.66,;6.85,-22.92,;6.86,-21.37,;5.53,-23.68,;4.22,-22.87,;2.93,-23.71,;2.93,-25.24,;1.59,-22.92,;1.59,-21.38,;2.94,-20.6,;2.94,-19.07,;4.22,-18.2,;4.3,-16.67,;2.9,-15.81,;5.58,-15.81,;.21,-23.61,;-1.14,-22.88,;-1.14,-21.32,;-2.47,-23.64,;-3.77,-22.83,;-5.04,-23.71,;-5.03,-25.24,;-6.39,-22.92,;-6.37,-21.38,;-5.03,-20.6,;-7.73,-23.68,;-9.07,-22.92,;-10.39,-23.68,;-9.06,-21.37,;30.95,-23.02,;30.95,-21.49,;32.27,-23.8,;33.65,-23.1,;34.99,-23.89,;34.98,-25.44,;36.28,-23.06,;37.61,-23.84,;37.61,-25.39,;38.93,-26.16,;38.93,-27.71,;40.25,-28.48,;40.18,-29.99,;38.94,-23.08,;38.94,-21.55,;40.27,-23.85,;41.64,-23.14,;42.98,-23.92,;42.98,-25.47,;44.28,-23.1,;45.61,-23.87,;46.93,-23.11,;46.94,-21.58,;48.27,-23.88,;49.63,-23.16,;49.64,-21.62,;50.97,-23.94,;50.97,-25.49,;52.28,-23.13,;53.62,-23.9,;53.61,-25.46,;54.93,-26.23,;54.93,-27.78,;56.26,-28.55,;56.19,-30.08,;54.94,-23.14,;54.95,-21.61,;56.28,-23.91,;57.64,-23.18,;57.65,-21.65,;58.99,-20.88,;59,-19.34,;60.32,-18.55,;60.36,-17.01,;58.99,-16.21,;61.66,-16.21,;58.98,-23.96,;58.98,-25.51,;60.29,-23.16,;61.61,-23.94,;61.61,-25.49,;62.92,-26.27,;64.3,-25.68,;65.34,-26.82,;64.57,-28.15,;63.07,-27.8,;62.93,-23.19,;62.94,-21.66,;64.27,-23.95,;65.61,-23.19,;65.62,-21.67,;66.96,-20.9,;66.97,-19.36,;68.31,-18.61,;68.34,-17.07,;66.98,-16.31,;69.67,-16.29,;66.95,-23.97,;66.95,-25.52,;68.29,-23.2,;69.62,-23.98,;69.62,-25.53,;70.94,-26.3,;70.94,-27.86,;72.26,-28.63,;72.25,-30.18,;70.95,-23.22,;72.29,-24,;70.96,-21.69,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(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(22-9-14-31-110)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)144-82(161)50-131-93(168)64(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)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

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.15E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


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