BDBM50070497 CHEMBL37975::{(S)-1-[(S)-4-Guanidino-1-(2-oxo-ethyl)-butylcarbamoyl]-2-phenyl-ethyl}-carbamic acid isobutyl ester

SMILES: CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CC=O

InChI Key: InChIKey=BGXMJBRSMCYYBS-ROUUACIJSA-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 = 50070497   

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
Papain (Carica papaya)	BDBM50070497 (CHEMBL37975 | {(S)-1-[(S)-4-Guanidino-1-(2-oxo-eth...) Show SMILES CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CC=O Show InChI InChI=1S/C21H33N5O4/c1-15(2)14-30-21(29)26-18(13-16-7-4-3-5-8-16)19(28)25-17(10-12-27)9-6-11-24-20(22)23/h3-5,7-8,12,15,17-18H,6,9-11,13-14H2,1-2H3,(H,25,28)(H,26,29)(H4,22,23,24)/t17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Drug Research Curated by ChEMBL					Assay Description Ability to inhibit papain was evaluated by amidolytic method using fluorogenic or chromogenic substrates				Bioorg Med Chem Lett 8: 1477-82 (1999) Checked by Author BindingDB Entry DOI: 10.7270/Q2GB24KF
					More data for this Ligand-Target Pair