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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50094043'   
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 deacetylase 1


(Homo sapiens (Human))		BDBM50094043
PNG
(CHEMBL3585960)
Show SMILES COc1ccc(cc1)-c1noc(CCCCCCC(=O)NO)n1
Show InChI InChI=1S/C143H237N47O42/c1-74(2)63-94(125(215)177-92(43-49-109(152)198)137(227)187-59-23-38-104(187)134(224)178-93(140(230)231)35-22-58-162-143(157)158)179-118(208)81(29-12-16-52-144)166-114(204)77(7)164-132(222)102-36-25-61-189(102)139(229)105-39-26-62-190(105)136(226)91(32-15-19-55-147)176-117(207)83(31-14-18-54-146)170-130(220)99(70-192)183-123(213)89(44-50-111(200)201)172-115(205)82(30-13-17-53-145)167-116(206)84(33-20-56-160-141(153)154)168-119(209)86(40-46-106(149)195)171-121(211)88(42-48-108(151)197)175-135(225)113(76(5)6)186-124(214)85(34-21-57-161-142(155)156)169-120(210)87(41-47-107(150)196)173-128(218)97(66-80-68-159-73-163-80)182-122(212)90(45-51-112(202)203)174-133(223)103-37-24-60-188(103)138(228)100(71-193)184-126(216)95(64-75(3)4)180-127(217)96(65-79-27-10-9-11-28-79)181-131(221)101(72-232-78(8)194)185-129(219)98(69-191)165-110(199)67-148/h9-11,27-28,68,73-77,81-105,113,191-193H,12-26,29-67,69-72,144-148H2,1-8H3,(H2,149,195)(H2,150,196)(H2,151,197)(H2,152,198)(H,159,163)(H,164,222)(H,165,199)(H,166,204)(H,167,206)(H,168,209)(H,169,210)(H,170,220)(H,171,211)(H,172,205)(H,173,218)(H,174,223)(H,175,225)(H,176,207)(H,177,215)(H,178,224)(H,179,208)(H,180,217)(H,181,221)(H,182,212)(H,183,213)(H,184,216)(H,185,219)(H,186,214)(H,200,201)(H,202,203)(H,230,231)(H4,153,154,160)(H4,155,156,161)(H4,157,158,162)/t77-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102?,103+,104?,105?,113-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Similars
Article
PubMed
n/an/a 2.18E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re...

Bioorg Med Chem 23: 3457-71 (2015)


Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX
More data for this
Ligand-Target Pair