BDBM50495204 CHEMBL1478361

SMILES: COc1ccc(cc1)N(CC(=O)NCc1ccco1)S(C)(=O)=O

InChI Key: InChIKey=WGLQOMHASHPUCU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50495204   

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 (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495204 (CHEMBL1478361) Show SMILES COc1ccc(cc1)N(CC(=O)NCc1ccco1)S(C)(=O)=O Show InChI InChI=1S/C15H18N2O5S/c1-21-13-7-5-12(6-8-13)17(23(2,19)20)11-15(18)16-10-14-4-3-9-22-14/h3-9H,10-11H2,1-2H3,(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495204 (CHEMBL1478361) Show SMILES COc1ccc(cc1)N(CC(=O)NCc1ccco1)S(C)(=O)=O Show InChI InChI=1S/C15H18N2O5S/c1-21-13-7-5-12(6-8-13)17(23(2,19)20)11-15(18)16-10-14-4-3-9-22-14/h3-9H,10-11H2,1-2H3,(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair