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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 6' and Ligand = 'BDBM429773'   
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 6


(Human)
BDBM429773
PNG
(5-[3-[4-(4- chloro-2- methoxy- phenyl)-1- piperidy...)
Show SMILES COc1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@@H](C)C[C@@]1(C)NC(=O)NC1=O |r|
Show InChI InChI=1S/C20H26ClN3O4/c1-12(11-20(2)18(26)22-19(27)23-20)17(25)24-8-6-13(7-9-24)15-5-4-14(21)10-16(15)28-3/h4-5,10,12-13H,6-9,11H2,1-3H3,(H2,22,23,26,27)/t12-,20+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.5n/an/an/an/an/an/a



GALAPAGOS NV

US Patent


Assay Description
The basis for the assay is the cleavage of the substrate 520 MMP FRET substrate XII by human ADAMTS6.The substrate contains sequence Arg-Pro-Lys-Pro-...


US Patent US10550100 (2020)


BindingDB Entry DOI: 10.7270/Q2D2211N
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 6


(Human)
BDBM429773
PNG
(5-[3-[4-(4- chloro-2- methoxy- phenyl)-1- piperidy...)
Show SMILES COc1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@@H](C)C[C@@]1(C)NC(=O)NC1=O |r|
Show InChI InChI=1S/C20H26ClN3O4/c1-12(11-20(2)18(26)22-19(27)23-20)17(25)24-8-6-13(7-9-24)15-5-4-14(21)10-16(15)28-3/h4-5,10,12-13H,6-9,11H2,1-3H3,(H2,22,23,26,27)/t12-,20+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.5n/an/an/an/an/an/a



GALAPAGOS NV

US Patent


Assay Description
The basis for the assay is the cleavage of the substrate 520 MMP FRET substrate XII by human ADAMTS6.The substrate contains sequence Arg-Pro-Lys-Pro-...


US Patent US10550100 (2020)


BindingDB Entry DOI: 10.7270/Q2D2211N
More data for this
Ligand-Target Pair