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BDBM281105 US10022354, Example 45

SMILES: CCc1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(C)c1

InChI Key: InChIKey=UWYRRHICZDZAIZ-UHFFFAOYNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 281105   
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 demethylase 5A


(Homo sapiens (Human))
BDBM281105
PNG
(US10022354, Example 45)
Show SMILES CCc1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(C)c1
Show InChI InChI=1/C20H24N6O/c1-4-17-9-19(24-23-17)20(27)26-6-5-14(12-26)18-8-15(7-13(2)22-18)16-10-21-25(3)11-16/h7-11,14H,4-6,12H2,1-3H3,(H,23,24)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 878n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged KDM5A expressed in baculovirus infected Sf9 insect cells using H3K4me3 peptide as substrate af...


Bioorg Med Chem Lett 27: 2974-2981 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281105
PNG
(US10022354, Example 45)
Show SMILES CCc1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(C)c1
Show InChI InChI=1/C20H24N6O/c1-4-17-9-19(24-23-17)20(27)26-6-5-14(12-26)18-8-15(7-13(2)22-18)16-10-21-25(3)11-16/h7-11,14H,4-6,12H2,1-3H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.910n/an/an/an/a7.025



Genentech 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair