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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'A disintegrin and metalloproteinase with thrombospondin motifs 5' and Ligand = 'BDBM50311078'   
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
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50311078
PNG
((1R,2S)-1-(4'-chlorobiphenyl-4-ylsulfonamido)-2-ph...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H18ClNO4S/c23-18-10-6-15(7-11-18)16-8-12-19(13-9-16)29(27,28)24-22(21(25)26)14-20(22)17-4-2-1-3-5-17/h1-13,20,24H,14H2,(H,25,26)/t20-,22+/m0/s1
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Similars

US Patent
n/an/a 210n/an/an/an/an/an/a



AstraZeneca



Assay Description
Protein concentrations were measured using the Micro BCA Protein Assay Kit (Pierce/Thermo Scientific, IL). Sample buffer was mixed with 5-25 μg ...


Bioorg Med Chem Lett 19: 4280-3 (2009)


BindingDB Entry DOI: 10.7270/Q2BC41VN
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50311078
PNG
((1R,2S)-1-(4'-chlorobiphenyl-4-ylsulfonamido)-2-ph...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H18ClNO4S/c23-18-10-6-15(7-11-18)16-8-12-19(13-9-16)29(27,28)24-22(21(25)26)14-20(22)17-4-2-1-3-5-17/h1-13,20,24H,14H2,(H,25,26)/t20-,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Bioorg Med Chem Lett 19: 6213-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.093
BindingDB Entry DOI: 10.7270/Q2ZS2WMT
More data for this
Ligand-Target Pair