BDBM50409597 CHEMBL2028912

SMILES: CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC

InChI Key: InChIKey=QZSSZOWDSLCTPA-MAXJAHQXSA-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 = 50409597   

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)	BDBM50409597 (CHEMBL2028912) Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C40H59N7O10/c1-10-25(6)33(37(51)44-32(24(4)5)38(52)56-9)45-39(53)47-46-36(50)31(21-27-16-18-29(55-8)19-17-27)43-35(49)30(20-23(2)3)42-34(48)26(7)41-40(54)57-22-28-14-12-11-13-15-28/h11-19,23-26,30-33H,10,20-22H2,1-9H3,(H,41,54)(H,42,48)(H,43,49)(H,44,51)(H,46,50)(H2,45,47,53)/t25-,26-,30-,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Gda£?sk Curated by ChEMBL					Assay Description In vitro inhibition of papain.				J Med Chem 45: 4202-11 (2002) BindingDB Entry DOI: 10.7270/Q2NP23R8
					More data for this Ligand-Target Pair