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BDBM112487 US10112950, Example 107::US10556908, Example 107::US9695180, 107

SMILES: CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3N(C)C(=O)COc3c2)n2ccnc12

InChI Key: InChIKey=QOJFPSNHGBXXKI-UHFFFAOYSA-N

Data: 3 IC50

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

Found 3 hits for monomerid = 112487   
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))
BDBM112487
PNG
(US10112950, Example 107 | US10556908, Example 107 ...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3N(C)C(=O)COc3c2)n2ccnc12
Show InChI InChI=1S/C28H28N8O2/c1-33(2)21-8-11-35(12-9-21)28-27-30-10-13-36(27)25(24(32-28)19-6-4-18(15-29)5-7-19)20-14-22-26(31-16-20)34(3)23(37)17-38-22/h4-7,10,13-14,16,21H,8-9,11-12,17H2,1-3H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/a7.525



Incyte Corporation

US Patent


Assay Description
10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated ...


US Patent US9695180 (2017)


BindingDB Entry DOI: 10.7270/Q2WQ01ZW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM112487
PNG
(US10112950, Example 107 | US10556908, Example 107 ...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3N(C)C(=O)COc3c2)n2ccnc12
Show InChI InChI=1S/C28H28N8O2/c1-33(2)21-8-11-35(12-9-21)28-27-30-10-13-36(27)25(24(32-28)19-6-4-18(15-29)5-7-19)20-14-22-26(31-16-20)34(3)23(37)17-38-22/h4-7,10,13-14,16,21H,8-9,11-12,17H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay 10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10556908 (2020)


BindingDB Entry DOI: 10.7270/Q2FT8PDM
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM112487
PNG
(US10112950, Example 107 | US10556908, Example 107 ...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3N(C)C(=O)COc3c2)n2ccnc12
Show InChI InChI=1S/C28H28N8O2/c1-33(2)21-8-11-35(12-9-21)28-27-30-10-13-36(27)25(24(32-28)19-6-4-18(15-29)5-7-19)20-14-22-26(31-16-20)34(3)23(37)17-38-22/h4-7,10,13-14,16,21H,8-9,11-12,17H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/a7.5n/a



Incyte Corporation

US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair