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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5A' and Ligand = 'BDBM281304'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281304
PNG
(US10022354, Example 245)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)n1ncc2c(F)cc(Br)cc12
Show InChI InChI=1S/C18H19BrFN5O/c1-10(2)15-7-16(23-22-15)18(26)24-4-3-12(9-24)25-17-6-11(19)5-14(20)13(17)8-21-25/h5-8,10,12H,3-4,9H2,1-2H3,(H,22,23)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.910n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS INC.

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair