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BDBM50138876 CHEMBL345569::[(S)-1-(4-Fluoro-1H-indazol-3-ylaminooxalyl)-pentyl]-carbamic acid 1-isopropyl-2-methyl-propyl ester

SMILES: CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]nc2cccc(F)c12

InChI Key: InChIKey=QOQQQBGTNLEWNP-INIZCTEOSA-N

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138876   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin K


(Homo sapiens (Human))
BDBM50138876
PNG
(CHEMBL345569 | [(S)-1-(4-Fluoro-1H-indazol-3-ylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]nc2cccc(F)c12
Show InChI InChI=1S/C22H31FN4O4/c1-6-7-10-16(24-22(30)31-19(12(2)3)13(4)5)18(28)21(29)25-20-17-14(23)9-8-11-15(17)26-27-20/h8-9,11-13,16,19H,6-7,10H2,1-5H3,(H,24,30)(H2,25,26,27,29)/t16-/m0/s1
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.260n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of cysteine protease cathepsin K of human


J Med Chem 47: 588-99 (2004)


Article DOI: 10.1021/jm030373l
BindingDB Entry DOI: 10.7270/Q29S1QF7
More data for this
Ligand-Target Pair