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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 = 'BDBM50311083'   
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))
BDBM50311083
PNG
((1S,2R)-1-(5-(4-chloro-1H-pyrazol-1-yl)thiophene-2...)
Show SMILES OC(=O)[C@@]1(C[C@@H]1c1ccccc1)NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1 |r|
Show InChI InChI=1S/C17H14ClN3O4S2/c18-12-9-19-21(10-12)14-6-7-15(26-14)27(24,25)20-17(16(22)23)8-13(17)11-4-2-1-3-5-11/h1-7,9-10,13,20H,8H2,(H,22,23)/t13-,17+/m1/s1
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Similars

US Patent
n/an/a 80n/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))
BDBM50311083
PNG
((1S,2R)-1-(5-(4-chloro-1H-pyrazol-1-yl)thiophene-2...)
Show SMILES OC(=O)[C@@]1(C[C@@H]1c1ccccc1)NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1 |r|
Show InChI InChI=1S/C17H14ClN3O4S2/c18-12-9-19-21(10-12)14-6-7-15(26-14)27(24,25)20-17(16(22)23)8-13(17)11-4-2-1-3-5-11/h1-7,9-10,13,20H,8H2,(H,22,23)/t13-,17+/m1/s1
PDB
MMDB

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B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/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