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BDBM50098583 Benzofuran-2-carboxylic acid {1-[3-hydroxy-1-(pyridine-2-sulfonyl)-azepan-4-ylcarbamoyl]-3-methyl-butyl}-amide::CHEMBL287705

SMILES: CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NC1CCCN(CC1O)S(=O)(=O)c1ccccn1

InChI Key: InChIKey=YXWMHLJCEFMYJP-KBWCOIMZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50098583   
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 K


(Homo sapiens (Human))
BDBM50098583
PNG
(Benzofuran-2-carboxylic acid {1-[3-hydroxy-1-(pyri...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NC1CCCN(CC1O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C26H32N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-21,31H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19?,20-,21?/m0/s1
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MMDB

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>1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Human cathepsin K


J Med Chem 44: 1380-95 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4WDC
More data for this
Ligand-Target Pair