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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sortilin' and Ligand = 'BDBM159123'   
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
Sortilin


(Homo sapiens (Human))
BDBM159123
PNG
(US10195186, Example 11 | US9682967, 11)
Show SMILES Cc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(O)=O)nc1C
Show InChI InChI=1S/C15H12Cl2N2O3/c1-7-3-4-13(18-8(7)2)19-14(20)9-5-11(16)12(17)6-10(9)15(21)22/h3-6H,1-2H3,(H,21,22)(H,18,19,20)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
457n/a 480n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Sortilin


(Homo sapiens (Human))
BDBM159123
PNG
(US10195186, Example 11 | US9682967, 11)
Show SMILES Cc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(O)=O)nc1C
Show InChI InChI=1S/C15H12Cl2N2O3/c1-7-3-4-13(18-8(7)2)19-14(20)9-5-11(16)12(17)6-10(9)15(21)22/h3-6H,1-2H3,(H,21,22)(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
457n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)


BindingDB Entry DOI: 10.7270/Q2474CZW
More data for this
Ligand-Target Pair
Sortilin


(Homo sapiens (Human))
BDBM159123
PNG
(US10195186, Example 11 | US9682967, 11)
Show SMILES Cc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(O)=O)nc1C
Show InChI InChI=1S/C15H12Cl2N2O3/c1-7-3-4-13(18-8(7)2)19-14(20)9-5-11(16)12(17)6-10(9)15(21)22/h3-6H,1-2H3,(H,21,22)(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 480n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)


BindingDB Entry DOI: 10.7270/Q2474CZW
More data for this
Ligand-Target Pair