BDBM50483059 CHEMBL1276871

SMILES: COc1ccc(cc1)N1N=C(\C(=C\c2ccc(cc2)C(O)=O)C1=O)c1ccccc1

InChI Key: InChIKey=WZCKXDQMLDDARA-QNGOZBTKSA-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 = 50483059   

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...)	BDBM50483059 (CHEMBL1276871) Show SMILES COc1ccc(cc1)N1N=C(\C(=C\c2ccc(cc2)C(O)=O)C1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C24H18N2O4/c1-30-20-13-11-19(12-14-20)26-23(27)21(22(25-26)17-5-3-2-4-6-17)15-16-7-9-18(10-8-16)24(28)29/h2-15H,1H3,(H,28,29)/b21-15-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	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))	BDBM50483059 (CHEMBL1276871) Show SMILES COc1ccc(cc1)N1N=C(\C(=C\c2ccc(cc2)C(O)=O)C1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C24H18N2O4/c1-30-20-13-11-19(12-14-20)26-23(27)21(22(25-26)17-5-3-2-4-6-17)15-16-7-9-18(10-8-16)24(28)29/h2-15H,1H3,(H,28,29)/b21-15-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.66E+4	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