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BDBM498094 2-(6-(((1R,2S)-2-((E)-1-phenylbut-1-en-2-yl)cyclopropyl)amino)-2-azaspiro[3.3]heptan-2-yl)ethanesulfonamide::US11013718, Compound 32

SMILES: CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1N(C1CC2(C1)CN(CCS(N)(=O)=O)C2)C(=O)C(F)(F)F

InChI Key: InChIKey=ZPZBRGQTLNNERR-ZVIVXHKUSA-N

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 498094   
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))
BDBM498094
PNG
(2-(6-(((1R,2S)-2-((E)-1-phenylbut-1-en-2-yl)cyclop...)
Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1N(C1CC2(C1)CN(CCS(N)(=O)=O)C2)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O3S/c1-2-17(10-16-6-4-3-5-7-16)19-11-20(19)29(21(30)23(24,25)26)18-12-22(13-18)14-28(15-22)8-9-33(27,31)32/h3-7,10,18-20H,2,8-9,11-15H2,1H3,(H2,27,31,32)/b17-10+/t19-,20+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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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