BDBM496940 cmdc.202100576, 18c

SMILES: CC(C)[C@H](NC(=O)c1cncc(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=C)N[C@@H](CC1CCNC1=O)C=O

InChI Key: InChIKey=MQDKRIUXDYNTPN-FQNOENOBSA-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 = 496940   

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...)	BDBM496940 (cmdc.202100576, 18c) Show SMILES CC(C)[C@H](NC(=O)c1cncc(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=C)N[C@@H](CC1CCNC1=O)C=O Show InChI InChI=1S/C28H34FN5O4/c1-17(2)25(34-27(37)21-12-22(29)15-30-14-21)28(38)33-24(11-19-7-5-4-6-8-19)18(3)32-23(16-35)13-20-9-10-31-26(20)36/h4-8,12,14-17,20,23-25,32H,3,9-11,13H2,1-2H3,(H,31,36)(H,33,38)(H,34,37)/t20?,23-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021)
					More data for this Ligand-Target Pair