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SMILES: Cc1cc2n(cc(-c3cccc4NC(C)(C)CCc34)c2cc1C#N)[C@H]1CC[C@H](O)CC1

InChI Key: InChIKey=OPAJZTORWMELQN-MXVIHJGJSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 439109   
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))
BDBM439109
PNG
(3-(2,2-dimethyl-1,2,3,4-tetrahydroquinolin-5-yl)-1...)
Show SMILES Cc1cc2n(cc(-c3cccc4NC(C)(C)CCc34)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(-6.2,.68,;-4.74,1.16,;-3.59,.13,;-2.13,.61,;-.8,-.16,;.35,.87,;-.28,2.27,;.49,3.61,;-.28,4.94,;.49,6.27,;2.03,6.27,;2.8,4.94,;4.34,4.94,;5.11,3.61,;6.65,3.61,;5.88,4.94,;4.34,2.27,;2.8,2.27,;2.03,3.61,;-1.81,2.11,;-2.95,3.14,;-4.42,2.67,;-5.56,3.7,;-6.65,4.79,;-.64,-1.7,;.79,-2.28,;.99,-3.81,;-.23,-4.75,;-.02,-6.27,;-1.65,-4.16,;-1.86,-2.64,)|
Show InChI InChI=1S/C27H31N3O/c1-17-13-26-23(14-18(17)15-28)24(16-30(26)19-7-9-20(31)10-8-19)21-5-4-6-25-22(21)11-12-27(2,3)29-25/h4-6,13-14,16,19-20,29,31H,7-12H2,1-3H3/t19-,20-
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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)


BindingDB Entry DOI: 10.7270/Q2MW2M62
More data for this
Ligand-Target Pair