BDBM50462028 CHEMBL4226173

SMILES: Clc1ccc(SC2=C(Sc3ccc(Cl)cc3)C(=O)c3[nH]c(nc3C2=O)-c2ccncc2)cc1

InChI Key: InChIKey=PVILASXDHFRBJS-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 = 50462028   

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
3C-like proteinase (CVB3 3Cpro) (Coxsackievirus B3 (strain Nancy))	BDBM50462028 (CHEMBL4226173) Show SMILES Clc1ccc(SC2=C(Sc3ccc(Cl)cc3)C(=O)c3[nH]c(nc3C2=O)-c2ccncc2)cc1 |c:6| Show InChI InChI=1S/C24H13Cl2N3O2S2/c25-14-1-5-16(6-2-14)32-22-20(30)18-19(29-24(28-18)13-9-11-27-12-10-13)21(31)23(22)33-17-7-3-15(26)4-8-17/h1-12H,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after...				Bioorg Med Chem Lett 28: 2533-2538 (2018) Article DOI: 10.1016/j.bmcl.2018.05.046 BindingDB Entry DOI: 10.7270/Q2HT2S0T
					More data for this Ligand-Target Pair