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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5A' and Ligand = 'BDBM50151587'   
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
Lysine-specific demethylase 5A


(Homo sapiens (Human))		BDBM50151587
PNG
(CHEMBL3774486)
Show SMILES CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
Show InChI InChI=1S/C101H171N37O29/c1-51(2)43-63(127-83(152)59(23-13-39-119-114)123-90(159)69(49-140)132-84(153)58(21-11-37-117-100(110)111)121-80(149)56-19-9-35-115-56)88(157)135-78(52(3)4)95(164)124-60(22-12-38-118-101(112)113)82(151)126-62(18-6-8-34-103)97(166)137-41-15-26-73(137)94(163)134-70(50-141)91(160)131-67(47-77(146)147)98(167)138-42-16-25-72(138)93(162)129-65(45-75(105)144)86(155)122-57(20-10-36-116-99(108)109)81(150)125-61(17-5-7-33-102)96(165)136-40-14-24-71(136)92(161)130-66(46-76(106)145)87(156)128-64(44-53-27-29-54(142)30-28-53)85(154)133-68(48-139)89(158)120-55(79(107)148)31-32-74(104)143/h27-30,51-52,55-73,78,115,119,139-142H,5-26,31-50,102-103,114H2,1-4H3,(H2,104,143)(H2,105,144)(H2,106,145)(H2,107,148)(H,120,158)(H,121,149)(H,122,155)(H,123,159)(H,124,164)(H,125,150)(H,126,151)(H,127,152)(H,128,156)(H,129,162)(H,130,161)(H,131,160)(H,132,153)(H,133,154)(H,134,163)(H,135,157)(H,146,147)(H4,108,109,116)(H4,110,111,117)(H4,112,113,118)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68?,69-,70-,71-,72-,73-,78-/m0/s1
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) using H3K4me3 peptide substrate preincubated for 5 mins followed by substrate addition by MALDI-TOF mass spect...

J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair