BDBM50176862 CHEMBL3809053

SMILES: OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(cc2)-c2ccccc2)C1=O)c1ccccc1

InChI Key: InChIKey=BWJHOHOWSONGSI-ITYLOYPMSA-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 = 50176862   

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...)	BDBM50176862 (CHEMBL3809053) Show SMILES OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(cc2)-c2ccccc2)C1=O)c1ccccc1 |c:11| Show InChI InChI=1S/C29H20N2O3/c32-28-26(18-20-14-16-22(17-15-20)21-8-3-1-4-9-21)27(23-10-5-2-6-11-23)30-31(28)25-13-7-12-24(19-25)29(33)34/h1-19H,(H,33,34)/b26-18-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair