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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Suppressor of tumorigenicity 14 protein' and Ligand = 'BDBM50257510'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50257510
PNG
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(O)=O)CC1 |r|
Show InChI InChI=1S/C28H38N6O6S/c29-13-10-25(35)32-22-7-3-8-23(18-22)41(39,40)33-24(17-20-5-1-6-21(16-20)27(30)31)28(38)34-14-11-19(12-15-34)4-2-9-26(36)37/h1,3,5-8,16,18-19,24,33H,2,4,9-15,17,29H2,(H3,30,31)(H,32,35)(H,36,37)/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
255n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin)


Bioorg Med Chem Lett 19: 1960-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50257510
PNG
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(O)=O)CC1 |r|
Show InChI InChI=1S/C28H38N6O6S/c29-13-10-25(35)32-22-7-3-8-23(18-22)41(39,40)33-24(17-20-5-1-6-21(16-20)27(30)31)28(38)34-14-11-19(12-15-34)4-2-9-26(36)37/h1,3,5-8,16,18-19,24,33H,2,4,9-15,17,29H2,(H3,30,31)(H,32,35)(H,36,37)/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
255n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
Inhibition assay using matriptase enzyme


US Patent US8569313 (2013)


BindingDB Entry DOI: 10.7270/Q2639ND5
More data for this
Ligand-Target Pair