BDBM429363 med.21724, Compound 37

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

InChI Key: InChIKey=JPIYOETYIJDLEJ-YTZBWCSPSA-N

Data: 1 KI  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 2 hits for monomerid = 429363   

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...)	BDBM429363 (med.21724, Compound 37) Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)CC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C31H45N3O7/c1-6-40-27(36)13-12-25(17-23-14-15-32-29(23)37)33-30(38)24(16-20(2)3)18-26(35)28(21(4)5)34-31(39)41-19-22-10-8-7-9-11-22/h7-13,20-21,23-25,28H,6,14-19H2,1-5H3,(H,32,37)(H,33,38)(H,34,39)/b13-12+/t23-,24+,25+,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	660	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
Replicase polyprotein 1ab (HCoV-229E)	BDBM429363 (med.21724, Compound 37) Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)CC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C31H45N3O7/c1-6-40-27(36)13-12-25(17-23-14-15-32-29(23)37)33-30(38)24(16-20(2)3)18-26(35)28(21(4)5)34-31(39)41-19-22-10-8-7-9-11-22/h7-13,20-21,23-25,28H,6,14-19H2,1-5H3,(H,32,37)(H,33,38)(H,34,39)/b13-12+/t23-,24+,25+,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	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