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BDBM424916 US10517849, Compound 13::US11013718, Compound 13

SMILES: CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CC(=O)NCCO)C2

InChI Key: InChIKey=YWDXCIZHUBDWDH-SYWXZGPASA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 424916   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM424916
PNG
(US10517849, Compound 13 | US11013718, Compound 13)
Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CC(=O)NCCO)C2
Show InChI InChI=1S/C23H33N3O2/c1-2-18(10-17-6-4-3-5-7-17)20-11-21(20)25-19-12-23(13-19)15-26(16-23)14-22(28)24-8-9-27/h3-7,10,19-21,25,27H,2,8-9,11-16H2,1H3,(H,24,28)/b18-10+/t20-,21+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US11013718 (2021)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM424916
PNG
(US10517849, Compound 13 | US11013718, Compound 13)
Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CC(=O)NCCO)C2
Show InChI InChI=1S/C23H33N3O2/c1-2-18(10-17-6-4-3-5-7-17)20-11-21(20)25-19-12-23(13-19)15-26(16-23)14-22(28)24-8-9-27/h3-7,10,19-21,25,27H,2,8-9,11-16H2,1H3,(H,24,28)/b18-10+/t20-,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10517849 (2019)


BindingDB Entry DOI: 10.7270/Q2222X53
More data for this
Ligand-Target Pair