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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proprotein convertase subtilisin/kexin type 9' and Ligand = 'BDBM50554754'   
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
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50554754
PNG
(CHEMBL4790764)
Show SMILES [H][C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2Cc3cn(Cc4cn(nn4)-c4cc(CSCCNC(=O)[C@]5(C)CCCN5C(=O)[C@H](Cc5ccc(OC)cc5)NC1=O)cc(CSCCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]c5ccc(F)cc15)C(=O)N2)c4)c1ccc(F)cc31)[C@@H](C)O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50554754
PNG
(CHEMBL4790764)
Show SMILES [H][C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2Cc3cn(Cc4cn(nn4)-c4cc(CSCCNC(=O)[C@]5(C)CCCN5C(=O)[C@H](Cc5ccc(OC)cc5)NC1=O)cc(CSCCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]c5ccc(F)cc15)C(=O)N2)c4)c1ccc(F)cc31)[C@@H](C)O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01084
BindingDB Entry DOI: 10.7270/Q23N272N
More data for this
Ligand-Target Pair