BDBM50048073 CHEMBL3357963

SMILES: [N-]=[N+]=NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N

InChI Key: InChIKey=HXOHLJNPVFARRG-OALUTQOASA-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 = 50048073   

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)	BDBM50048073 (CHEMBL3357963) Show SMILES [N-]=[N+]=NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C22H23N7O3/c23-11-12-25-21(31)18(13-16-7-3-1-4-8-16)28-22(32)19(27-20(30)15-26-29-24)14-17-9-5-2-6-10-17/h1-10,18-19H,12-15H2,(H,25,31)(H,27,30)(H,28,32)/t18-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.97E+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