BDBM50409598 CHEMBL2028910

SMILES: CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)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=ONHOINLCWRTXCR-DUNHVNQZSA-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 = 50409598   

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)	BDBM50409598 (CHEMBL2028910) Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)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/C39H57N7O9/c1-9-25(6)32(36(50)43-31(24(4)5)37(51)54-8)44-38(52)46-45-35(49)30(21-27-16-12-10-13-17-27)42-34(48)29(20-23(2)3)41-33(47)26(7)40-39(53)55-22-28-18-14-11-15-19-28/h10-19,23-26,29-32H,9,20-22H2,1-8H3,(H,40,53)(H,41,47)(H,42,48)(H,43,50)(H,45,49)(H2,44,46,52)/t25-,26-,29-,30-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.120	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
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