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SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(CC2=CC(=O)OC2)nn1

InChI Key: InChIKey=AWQAFEFAKNPVJX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50442002   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50442002
PNG
(CHEMBL2440549)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(CC2=CC(=O)OC2)nn1 |t:22|
Show InChI InChI=1S/C18H25N5O4S2/c1-18(2,3)27-16(25)21-4-6-22(7-5-21)17(28)29-12-14-10-23(20-19-14)9-13-8-15(24)26-11-13/h8,10H,4-7,9,11-12H2,1-3H3
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MMDB

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PC cid
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Article
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n/an/a>1.25E+5n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 (157 to 852 aa) expressed in Escherichia coli BL21(DE) using H3K4me2 as substrate by fluorescence assay

J Med Chem 56: 8543-60 (2013)


Article DOI: 10.1021/jm401002r
BindingDB Entry DOI: 10.7270/Q2XD1333
More data for this
Ligand-Target Pair