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BDBM50240083 CHEMBL4084846

SMILES: CN1CCN(Cc2cccc(c2)C(=O)Nc2cc(NC(=O)c3cccc4c5ccccc5oc34)ccc2C)CC1

InChI Key: InChIKey=NZDTURVTBGFCJP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50240083   
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))		BDBM50240083
PNG
(CHEMBL4084846)
Show SMILES CN1CCN(Cc2cccc(c2)C(=O)Nc2cc(NC(=O)c3cccc4c5ccccc5oc34)ccc2C)CC1
Show InChI InChI=1S/C33H32N4O3/c1-22-13-14-25(34-33(39)28-11-6-10-27-26-9-3-4-12-30(26)40-31(27)28)20-29(22)35-32(38)24-8-5-7-23(19-24)21-37-17-15-36(2)16-18-37/h3-14,19-20H,15-18,21H2,1-2H3,(H,34,39)(H,35,38)
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PC sid
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Similars
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