BDBM50483065 CHEMBL1277228

SMILES: OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2cccc(c2)[N+]([O-])=O)cc1

InChI Key: InChIKey=YZVRXPHVOKGNEW-MOSHPQCFSA-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 = 50483065   

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...)	BDBM50483065 (CHEMBL1277228) Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2cccc(c2)[N+]([O-])=O)cc1 |c:12| Show InChI InChI=1S/C23H15N3O5/c27-22-20(13-15-9-11-17(12-10-15)23(28)29)21(16-5-2-1-3-6-16)24-25(22)18-7-4-8-19(14-18)26(30)31/h1-14H,(H,28,29)/b20-13-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease by fluorescence plate reader analysis				Bioorg Med Chem 18: 7849-54 (2010) Article DOI: 10.1016/j.bmc.2010.09.050 BindingDB Entry DOI: 10.7270/Q2GQ71KW
					More data for this Ligand-Target Pair
3C-like proteinase (CVB3 3Cpro) (Coxsackievirus B3 (strain Nancy))	BDBM50483065 (CHEMBL1277228) Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2cccc(c2)[N+]([O-])=O)cc1 |c:12| Show InChI InChI=1S/C23H15N3O5/c27-22-20(13-15-9-11-17(12-10-15)23(28)29)21(16-5-2-1-3-6-16)24-25(22)18-7-4-8-19(14-18)26(30)31/h1-14H,(H,28,29)/b20-13-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of coxsackievirus B3 3C protease by fluorescence plate reader analysis				Bioorg Med Chem 18: 7849-54 (2010) Article DOI: 10.1016/j.bmc.2010.09.050 BindingDB Entry DOI: 10.7270/Q2GQ71KW
					More data for this Ligand-Target Pair