BDBM50409589 CHEMBL2028920

SMILES: CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1cccc2ccccc12)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=KMJURIDKPLGXEZ-AZAPPJOUSA-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 = 50409589   

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)	BDBM50409589 (CHEMBL2028920) Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1cccc2ccccc12)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/C43H59N7O9/c1-9-27(6)36(40(54)47-35(26(4)5)41(55)58-8)48-42(56)50-49-39(53)34(23-31-20-15-19-30-18-13-14-21-32(30)31)46-38(52)33(22-25(2)3)45-37(51)28(7)44-43(57)59-24-29-16-11-10-12-17-29/h10-21,25-28,33-36H,9,22-24H2,1-8H3,(H,44,57)(H,45,51)(H,46,52)(H,47,54)(H,49,53)(H2,48,50,56)/t27-,28-,33-,34-,35-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	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