BDBM50065591 ((S)-1-{(S)-1-[(S)-1-Formyl-3-(trityl-carbamoyl)-propylcarbamoyl]-2-phenyl-ethylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester::CHEMBL329857

SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C=O

InChI Key: InChIKey=JOMYVHLVFSXJJQ-BJKOEGOMSA-N

Data: 1 KI

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 = 50065591   

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
Human rhinovirus A protease (Human rhinovirus B)	BDBM50065591 (((S)-1-{(S)-1-[(S)-1-Formyl-3-(trityl-carbamoyl)-p...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C=O Show InChI InChI=1S/C47H50N4O6/c1-34(2)30-41(50-46(56)57-33-36-20-10-4-11-21-36)45(55)49-42(31-35-18-8-3-9-19-35)44(54)48-40(32-52)28-29-43(53)51-47(37-22-12-5-13-23-37,38-24-14-6-15-25-38)39-26-16-7-17-27-39/h3-27,32,34,40-42H,28-31,33H2,1-2H3,(H,48,54)(H,49,55)(H,50,56)(H,51,53)/t40-,41-,42-/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair