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Compile Data Set for Download or QSAR

Found 5 hits of ki data for polymerid = 8458   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proprotein convertase subtilisin/kexin type 9 (PCSK9)


(Homo sapiens (Human))
BDBM50280216
PNG
(Borinic acid derivative | CHEMBL31523 | Phenyl but...)
Show SMILES CCCCB(O)c1ccccc1
Show InChI InChI=1S/C10H15BO/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3
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Article
1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of subtilisin


Bioorg Med Chem Lett 4: 2417-2420 (1994)

More data for this
Ligand-Target Pair
Subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50014066
PNG
(2-Acetylamino-3-(4-oxiranylmethoxy-phenyl)-propion...)
Show SMILES CCOC(=O)[C@H](Cc1ccc(OCC2CO2)cc1)NC(C)=O
Show InChI InChI=1S/C16H21NO5/c1-3-20-16(19)15(17-11(2)18)8-12-4-6-13(7-5-12)21-9-14-10-22-14/h4-7,14-15H,3,8-10H2,1-2H3,(H,17,18)/t14?,15-/m0/s1
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3.50E+3n/an/an/an/an/an/an/an/a



State University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (PCSK9)


(Homo sapiens (Human))
BDBM50067889
PNG
(CHEMBL81556 | Diphenyl Borinic acid)
Show SMILES OB(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C12H11BO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
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3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of subtilisin


Bioorg Med Chem Lett 4: 2417-2420 (1994)

More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (PCSK9)


(Homo sapiens (Human))
BDBM50014066
PNG
(2-Acetylamino-3-(4-oxiranylmethoxy-phenyl)-propion...)
Show SMILES CCOC(=O)[C@H](Cc1ccc(OCC2CO2)cc1)NC(C)=O
Show InChI InChI=1S/C16H21NO5/c1-3-20-16(19)15(17-11(2)18)8-12-4-6-13(7-5-12)21-9-14-10-22-14/h4-7,14-15H,3,8-10H2,1-2H3,(H,17,18)/t14?,15-/m0/s1
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2.00E+5n/an/an/an/an/an/an/an/a



State University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against subtilisin


Citation and Details
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (PCSK9)


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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KEGG
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PC cid
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Article
4.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of subtilisin


Bioorg Med Chem Lett 4: 2417-2420 (1994)

More data for this
Ligand-Target Pair