BDBM50364000 CHEMBL1950253

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

InChI Key: InChIKey=USUUWAPRJZGYRO-NDEPHWFRSA-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 = 50364000   

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)	BDBM50364000 (CHEMBL1950253) Show SMILES CCOP(=O)(CC=C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccccc1)OCC |r,w:6.5| Show InChI InChI=1S/C30H35N2O6P/c1-3-37-39(35,38-4-2)21-20-27(26-18-12-7-13-19-26)31-29(33)28(22-24-14-8-5-9-15-24)32-30(34)36-23-25-16-10-6-11-17-25/h5-20,28H,3-4,21-23H2,1-2H3,(H,31,33)(H,32,34)/t28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Chemical Laboratory (CSIR-NCL) Curated by ChEMBL					Assay Description Inhibition of papaya papain using BAPNA as substrate assessed as p-nitroaniline release by spectrophotometric analysis				Bioorg Med Chem 19: 7129-35 (2011) Article DOI: 10.1016/j.bmc.2011.09.058 BindingDB Entry DOI: 10.7270/Q2KW5GGT
					More data for this Ligand-Target Pair