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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50343352   
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
Vitamin K epoxide reductase complex subunit 1


(Homo sapiens (Human))
BDBM50343352
PNG
(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
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UniProtKB/SwissProt

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CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of VKOR (unknown origin) in HEK293 expressing FIXgla-PC incubated for 48 hrs by ELISA


Bioorg Med Chem Lett 29: 1954-1956 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.039
BindingDB Entry DOI: 10.7270/Q2TQ652J
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 7


(Homo sapiens (Human))
BDBM50343352
PNG
(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 2.46E+4n/an/an/an/an/an/a



Universidade Estadual Paulista

Curated by ChEMBL


Assay Description
Inhibition of recombinant type 8 subtilisin using Arg-Glu-(EDANS)- Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-(DALBCYL)-Arg fluorogenic substrate preincubat...


J Nat Prod 74: 1353-7 (2011)


Article DOI: 10.1021/np1005983
BindingDB Entry DOI: 10.7270/Q2PZ596S
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50343352
PNG
(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.15E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Tested in vitro for dopamine(DA) neuronal uptake inhibition


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair