BDBM496956 cmdc.202100576, 22d

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

InChI Key: InChIKey=RBXUCWGAXPCWJY-ZJZGAYNASA-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 = 496956   

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...)	BDBM496956 (cmdc.202100576, 22d) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C31H48N6O7/c1-19(2)15-23(34-28(41)24(17-37(6)7)35-30(43)44-18-20-11-9-8-10-12-20)27(40)33-22(16-21-13-14-32-26(21)39)25(38)29(42)36-31(3,4)5/h8-12,19,21-24H,13-18H2,1-7H3,(H,32,39)(H,33,40)(H,34,41)(H,35,43)(H,36,42)/t21-,22-,23-,24-/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