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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Suppressor of tumorigenicity 14 protein' and Ligand = 'BDBM50444523'   
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))
BDBM50444523
PNG
(CHEMBL3100168)
Show SMILES NCCC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C28H32N8O4/c29-14-11-24(37)36-15-12-19(13-16-36)34-27(38)22-9-10-23(39-20-5-1-17(2-6-20)25(30)31)35-28(22)40-21-7-3-18(4-8-21)26(32)33/h1-10,19H,11-16,29H2,(H3,30,31)(H3,32,33)(H,34,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
600n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hy...


ACS Med Chem Lett 4: 1152-7 (2013)


Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ
More data for this
Ligand-Target Pair