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BDBM281250 US10022354, Example 190

SMILES: CCC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](CC(=O)[C@@H]2C[C@@H]2F)C1

InChI Key: InChIKey=LPUQBMAGZFGCTM-WVMKXHBISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 281250   
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))		BDBM281250
PNG
(US10022354, Example 190)
Show SMILES CCC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](CC(=O)[C@@H]2C[C@@H]2F)C1 |r|
Show InChI InChI=1S/C17H24FN3O2/c1-3-10(2)14-8-15(20-19-14)17(23)21-5-4-11(9-21)6-16(22)12-7-13(12)18/h8,10-13H,3-7,9H2,1-2H3,(H,19,20)/t10?,11-,12+,13-/m0/s1
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MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0370n/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