BDBM429244 jm5b01461, Compound 61

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F

InChI Key: InChIKey=PDLFIYNGGUUVLF-PZYJALBSSA-N

Data: 1 KI  2 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 3 hits for monomerid = 429244   

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...)	BDBM429244 (jm5b01461, Compound 61) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C32H41F3N4O6/c1-19(2)16-25(29(42)37-24(27(40)32(33,34)35)17-22-12-8-6-9-13-22)38-30(43)26(20(3)4)39-28(41)21(5)36-31(44)45-18-23-14-10-7-11-15-23/h6-15,19-21,24-26H,16-18H2,1-5H3,(H,36,44)(H,37,42)(H,38,43)(H,39,41)/t21-,24-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429244 (jm5b01461, Compound 61) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C32H41F3N4O6/c1-19(2)16-25(29(42)37-24(27(40)32(33,34)35)17-22-12-8-6-9-13-22)38-30(43)26(20(3)4)39-28(41)21(5)36-31(44)45-18-23-14-10-7-11-15-23/h6-15,19-21,24-26H,16-18H2,1-5H3,(H,36,44)(H,37,42)(H,38,43)(H,39,41)/t21-,24-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429244 (jm5b01461, Compound 61) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C32H41F3N4O6/c1-19(2)16-25(29(42)37-24(27(40)32(33,34)35)17-22-12-8-6-9-13-22)38-30(43)26(20(3)4)39-28(41)21(5)36-31(44)45-18-23-14-10-7-11-15-23/h6-15,19-21,24-26H,16-18H2,1-5H3,(H,36,44)(H,37,42)(H,38,43)(H,39,41)/t21-,24-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
					More data for this Ligand-Target Pair