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SMILES: Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2cccnc2)c(c1)C#N

InChI Key: InChIKey=ZFOIWGFSCMNLFS-LDQXDPCPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50240038   
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
Bile salt export pump


(Homo sapiens (Human))		BDBM50240038
PNG
(CHEMBL4067821)
Show SMILES Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2cccnc2)c(c1)C#N |r|
Show InChI InChI=1S/C26H30N2O5/c1-18-11-12-22(21(14-18)15-27)33-26(2,3)25-31-17-20(8-5-4-6-10-23(29)30)24(32-25)19-9-7-13-28-16-19/h4-5,7,9,11-14,16,20,24-25H,6,8,10,17H2,1-3H3,(H,29,30)/b5-4-/t20-,24-,25+/m1/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.00E+4n/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