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BDBM50245493 CHEMBL4092255

SMILES: COc1ccc2c(O[C@@H]3C[C@@H](N(C[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C3)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NC3CC3)nccc2c1

InChI Key: InChIKey=RFGRZTIPIOMOOD-KKAKYAENSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50245493   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cathepsin B


(Homo sapiens (Human))		BDBM50245493
PNG
(CHEMBL4092255)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H](N(C[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C3)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NC3CC3)nccc2c1 |r|
Show InChI InChI=1S/C36H52N6O6/c1-35(2,3)29(40-34(46)41-36(4,5)6)20-42-19-25(48-33-26-13-12-24(47-7)17-22(26)14-15-37-33)18-28(42)31(44)39-27(16-21-8-9-21)30(43)32(45)38-23-10-11-23/h12-15,17,21,23,25,27-29H,8-11,16,18-20H2,1-7H3,(H,38,45)(H,39,44)(H2,40,41,46)/t25-,27+,28-,29-/m1/s1
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Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using Boc-Leu-Arg-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 3...

J Med Chem 60: 527-553 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00935
BindingDB Entry DOI: 10.7270/Q29C70V2
More data for this
Ligand-Target Pair