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2 similar compounds to monomer 50138862

Compile data set for download or QSAR
Wt: 377.4
BDBM50138841
Wt: 427.5
BDBM50138864

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50138841,50138864   
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))
BDBM50138864
PNG
(CHEMBL351111 | [(S)-1-(Isoquinolin-3-ylaminooxalyl...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1cc2ccccc2cn1
Show InChI InChI=1S/C24H33N3O4/c1-6-7-12-19(26-24(30)31-22(15(2)3)16(4)5)21(28)23(29)27-20-13-17-10-8-9-11-18(17)14-25-20/h8-11,13-16,19,22H,6-7,12H2,1-5H3,(H,26,30)(H,25,27,29)/t19-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.80n/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
Cathepsin K


(Homo sapiens (Human))
BDBM50138841
PNG
(CHEMBL154584 | [(S)-1-(Pyridin-2-ylaminooxalyl)-pe...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C20H31N3O4/c1-6-7-10-15(22-20(26)27-18(13(2)3)14(4)5)17(24)19(25)23-16-11-8-9-12-21-16/h8-9,11-15,18H,6-7,10H2,1-5H3,(H,22,26)(H,21,23,25)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/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