BDBM50253049 CHEMBL4095874

SMILES: CC(C)c1cc(nn1C)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(C)c1

InChI Key: InChIKey=FMVJJSPKBXQSEI-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 = 50253049   

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))	BDBM50253049 (CHEMBL4095874) Show SMILES CC(C)c1cc(nn1C)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(C)c1 Show InChI InChI=1S/C22H28N6O/c1-14(2)21-10-20(25-27(21)5)22(29)28-7-6-16(13-28)19-9-17(8-15(3)24-19)18-11-23-26(4)12-18/h8-12,14,16H,6-7,13H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc., 1 DNA Way, South San Francisco, CA 94080, USA. Electronic address: liang.jun@gene.com. Curated by ChEMBL					Assay Description Inhibition of KDM5A in human PC9 cells assessed as increase in H3K4me3 level after 5 days by mass-spectrometric method				Bioorg Med Chem Lett 27: 2974-2981 (2017) Article DOI: 10.1016/j.bmcl.2017.05.016 BindingDB Entry DOI: 10.7270/Q2RF5XFT
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