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SMILES: CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1nc(C)cc(n1)-c1cnn(C)c1

InChI Key: InChIKey=KZMBBRVEMMYESC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 281162   
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))		BDBM281162
PNG
(US10022354, Example 102)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1nc(C)cc(n1)-c1cnn(C)c1
Show InChI InChI=1S/C20H25N7O/c1-12(2)16-8-18(25-24-16)20(28)27-6-5-14(11-27)19-22-13(3)7-17(23-19)15-9-21-26(4)10-15/h7-10,12,14H,5-6,11H2,1-4H3,(H,24,25)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.760n/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