BDBM281094 US10022354, Example 34

SMILES: CNC(=O)NC1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C

InChI Key: InChIKey=QSZJKTWEBCXRJQ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 281094   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281094 (US10022354, Example 34) Show SMILES CNC(=O)NC1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C Show InChI InChI=1S/C13H21N5O2/c1-8(2)10-6-11(17-16-10)12(19)18-5-4-9(7-18)15-13(20)14-3/h6,8-9H,4-5,7H2,1-3H3,(H,16,17)(H2,14,15,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0580	n/a	n/a	n/a	n/a	7.0	25
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
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