BDBM50271055 CHEMBL4130279

SMILES: CCCN(CCC)C(=S)SCc1cc(OC)c2ccccc2c1OC

InChI Key: InChIKey=HPYQWJUDSGZAFU-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 = 50271055   

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
Pyruvate kinase (PKM2) (Homo sapiens (Human))	BDBM50271055 (CHEMBL4130279) Show SMILES CCCN(CCC)C(=S)SCc1cc(OC)c2ccccc2c1OC Show InChI InChI=1S/C20H27NO2S2/c1-5-11-21(12-6-2)20(24)25-14-15-13-18(22-3)16-9-7-8-10-17(16)19(15)23-4/h7-10,13H,5-6,11-12,14H2,1-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair