BDBM50176802 CHEMBL3810109

SMILES: OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(o2)-c2cc(Cl)ccc2C(O)=O)C1=O)C(F)(F)F

InChI Key: InChIKey=ZMTQIEODEJVNQW-YVLHZVERSA-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 = 50176802   

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...)	BDBM50176802 (CHEMBL3810109) Show SMILES OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(o2)-c2cc(Cl)ccc2C(O)=O)C1=O)C(F)(F)F |c:11| Show InChI InChI=1S/C23H12ClF3N2O6/c24-12-4-6-15(22(33)34)16(9-12)18-7-5-14(35-18)10-17-19(23(25,26)27)28-29(20(17)30)13-3-1-2-11(8-13)21(31)32/h1-10H,(H,31,32)(H,33,34)/b17-10-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+4	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