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SMILES: CCn1cc(cn1)-c1cc(C)nc(c1)C1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C

InChI Key: InChIKey=DKYYJTBNABOZIN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 281137   
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))		BDBM281137
PNG
(US10022354, Example 77)
Show SMILES CCn1cc(cn1)-c1cc(C)nc(c1)C1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C
Show InChI InChI=1S/C22H28N6O/c1-5-28-13-18(11-23-28)17-8-15(4)24-20(9-17)16-6-7-27(12-16)22(29)21-10-19(14(2)3)25-26-21/h8-11,13-14,16H,5-7,12H2,1-4H3,(H,25,26)
PDB
MMDB

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PC cid
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UniChem
US Patent
n/an/a 0.670n/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