BDBM50048074 CHEMBL3357468

SMILES: CC(C)C[C@H](NC(=O)c1ccc(CN=[N+]=[N-])cc1)C(=O)NCC#N

InChI Key: InChIKey=YPGRIBJLIRWSAI-AWEZNQCLSA-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 = 50048074   

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)	BDBM50048074 (CHEMBL3357468) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(CN=[N+]=[N-])cc1)C(=O)NCC#N |r| Show InChI InChI=1S/C16H20N6O2/c1-11(2)9-14(16(24)19-8-7-17)21-15(23)13-5-3-12(4-6-13)10-20-22-18/h3-6,11,14H,8-10H2,1-2H3,(H,19,24)(H,21,23)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry				Bioorg Med Chem 22: 5593-603 (2014) Article DOI: 10.1016/j.bmc.2014.06.001 BindingDB Entry DOI: 10.7270/Q22N53X1
					More data for this Ligand-Target Pair