BDBM496957 cmdc.202100576, 22e

SMILES: CC(C)C[C@H](NC(=O)[C@H](CN1CCOCC1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC(C)C

InChI Key: InChIKey=QPWPPKQBNBGAKA-CQJMVLFOSA-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 = 496957   

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...)	BDBM496957 (cmdc.202100576, 22e) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CN1CCOCC1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC(C)C Show InChI InChI=1S/C32H48N6O8/c1-20(2)16-25(29(41)35-24(17-23-10-11-33-28(23)40)27(39)31(43)34-21(3)4)36-30(42)26(18-38-12-14-45-15-13-38)37-32(44)46-19-22-8-6-5-7-9-22/h5-9,20-21,23-26H,10-19H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,37,44)/t23-,24-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	7	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