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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50158881   
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 histone demethylase 1A


(Homo sapiens (Human))		BDBM50158881
PNG
(CHEMBL3785549)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r|
Show InChI InChI=1S/C94H173N37O27/c1-46(2)42-63(85(152)114-48(4)73(102)140)126-82(149)61(30-32-66(100)136)122-77(144)55(23-11-15-35-96)120-80(147)59(27-19-39-110-93(105)106)124-87(154)65-29-21-41-131(65)91(158)50(6)116-76(143)54(22-10-14-34-95)117-69(139)44-112-68(138)43-113-88(155)70(51(7)133)128-86(153)64(45-132)127-81(148)56(24-12-16-36-97)121-79(146)58(26-18-38-109-92(103)104)119-75(142)49(5)115-89(156)71(52(8)134)129-84(151)62(31-33-67(101)137)123-78(145)57(25-13-17-37-98)125-90(157)72(53(9)135)130-83(150)60(118-74(141)47(3)99)28-20-40-111-94(107)108/h46-65,70-72,132-135H,10-45,95-99H2,1-9H3,(H2,100,136)(H2,101,137)(H2,102,140)(H,112,138)(H,113,155)(H,114,152)(H,115,156)(H,116,143)(H,117,139)(H,118,141)(H,119,142)(H,120,147)(H,121,146)(H,122,144)(H,123,145)(H,124,154)(H,125,157)(H,126,149)(H,127,148)(H,128,153)(H,129,151)(H,130,150)(H4,103,104,109)(H4,105,106,110)(H4,107,108,111)/t47-,48-,49-,50-,51+,52+,53+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,70-,71-,72-/m0/s1
PDB
MMDB

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KEGG

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Article
PubMed
 1.80E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A expressed in Escherichia coli using H3K4me as substrate by peroxidase coupled enzyme assay

J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair