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SMILES: Cc1c(-c2cccc(N)c2C)c2cc(C#N)c(C)cc2n1CCCO

InChI Key: InChIKey=VANWIPMZSKAOOX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 439036   
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))
BDBM439036
PNG
(3-(3-amino-2-methylphenyl)-1-(3-hydroxypropyl)-2,6...)
Show SMILES Cc1c(-c2cccc(N)c2C)c2cc(C#N)c(C)cc2n1CCCO |(3.86,.41,;2.32,.41,;1.42,1.66,;1.89,3.12,;.86,4.27,;1.34,5.73,;2.85,6.05,;3.88,4.91,;5.38,5.23,;3.4,3.44,;4.43,2.3,;-.05,1.18,;-1.38,1.95,;-2.71,1.18,;-4.05,1.95,;-5.38,2.72,;-2.71,-.36,;-4.05,-1.13,;-1.38,-1.13,;-.05,-.36,;1.42,-.83,;1.89,-2.3,;.86,-3.44,;1.34,-4.91,;.31,-6.05,)|
Show InChI InChI=1S/C21H23N3O/c1-13-10-20-18(11-16(13)12-22)21(15(3)24(20)8-5-9-25)17-6-4-7-19(23)14(17)2/h4,6-7,10-11,25H,5,8-9,23H2,1-3H3
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of twelve concentrations. The...


US Patent US10604502 (2020)

More data for this
Ligand-Target Pair