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SMILES: CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)C1CCCC1

InChI Key: InChIKey=URSIZPOVGXUNCX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 281140   
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))		BDBM281140
PNG
(US10022354, Example 80)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)C1CCCC1
Show InChI InChI=1S/C22H30N4O/c1-14(2)19-12-21(25-24-19)22(27)26-9-8-17(13-26)20-11-18(10-15(3)23-20)16-6-4-5-7-16/h10-12,14,16-17H,4-9,13H2,1-3H3,(H,24,25)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.980n/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