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SMILES: Cn1cccc1-c1ccc(-c2ccc(-c3ccc(-c4ccccc4)n3C)n2C)n1C

InChI Key: InChIKey=QRXWBYLQXGFCRY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50520945   
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


(Homo sapiens (Human))
BDBM50520945
PNG
(CHEMBL4584571)
Show SMILES Cn1cccc1-c1ccc(-c2ccc(-c3ccc(-c4ccccc4)n3C)n2C)n1C
Show InChI InChI=1S/C26H26N4/c1-27-18-8-11-21(27)22-14-15-25(29(22)3)26-17-16-24(30(26)4)23-13-12-20(28(23)2)19-9-6-5-7-10-19/h5-18H,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.12E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of wild type His-tagged PCSK9 (unknown origin) binding to recombinant LDLR-AB domain (unknown origin) after 2 hrs by fluorescence assay


Eur J Med Chem 162: 212-233 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.011
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50520945
PNG
(CHEMBL4584571)
Show SMILES Cn1cccc1-c1ccc(-c2ccc(-c3ccc(-c4ccccc4)n3C)n2C)n1C
Show InChI InChI=1S/C26H26N4/c1-27-18-8-11-21(27)22-14-15-25(29(22)3)26-17-16-24(30(26)4)23-13-12-20(28(23)2)19-9-6-5-7-10-19/h5-18H,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.04E+3n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PCSK9 in human HepG2 cells assessed as increase in LDL uptake after 24 hrs by fluorescence assay


Eur J Med Chem 162: 212-233 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.011
More data for this
Ligand-Target Pair