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BDBM50238665 PROTOKYLOL HYDROCHLORIDE::Protokylol HCl::Ventaire

SMILES: Cl.CC(Cc1ccc2OCOc2c1)NCC(O)c1ccc(O)c(O)c1

InChI Key: InChIKey=LOVXREQUMZKFCM-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50238665   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bile salt export pump


(Homo sapiens (Human))
BDBM50238665
PNG
(PROTOKYLOL HYDROCHLORIDE | Protokylol HCl | Ventai...)
Show SMILES Cl.CC(Cc1ccc2OCOc2c1)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H21NO5.ClH/c1-11(6-12-2-5-17-18(7-12)24-10-23-17)19-9-16(22)13-3-4-14(20)15(21)8-13;/h2-5,7-8,11,16,19-22H,6,9-10H2,1H3;1H
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Similars

Article
PubMed
n/an/a>9.82E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


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