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SMILES: CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1ccc(C)nc1

InChI Key: InChIKey=ZBOWZNCBCMOXPL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 281156   
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))		BDBM281156
PNG
(US10022354, Example 96)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1ccc(C)nc1
Show InChI InChI=1S/C23H27N5O/c1-14(2)20-11-22(27-26-20)23(29)28-8-7-18(13-28)21-10-19(9-16(4)25-21)17-6-5-15(3)24-12-17/h5-6,9-12,14,18H,7-8,13H2,1-4H3,(H,26,27)
PDB
MMDB

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PC cid
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UniChem
US Patent
n/an/a 0.620n/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