BDBM50532177 CHEMBL4556977

SMILES: CCCCCCN(C)Cc1cc(cs1)-c1[nH]c2c(cnn2c(=O)c1C(C)C)C#N

InChI Key: InChIKey=MSRPYQLIKRKXDL-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 = 50532177   

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))	BDBM50532177 (CHEMBL4556977) Show SMILES CCCCCCN(C)Cc1cc(cs1)-c1[nH]c2c(cnn2c(=O)c1C(C)C)C#N Show InChI InChI=1S/C22H29N5OS/c1-5-6-7-8-9-26(4)13-18-10-16(14-29-18)20-19(15(2)3)22(28)27-21(25-20)17(11-23)12-24-27/h10,12,14-15,25H,5-9,13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Prefectural University of Medicine Curated by ChEMBL					Assay Description Inhibition of human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected Sf9 insect cells using H3(1-21)K4(Me3)-GGK(Bi...				Bioorg Med Chem 27: 1119-1129 (2019) Article DOI: 10.1016/j.bmc.2019.02.006
					More data for this Ligand-Target Pair