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BDBM50443615 CHEMBL3092199

SMILES: CS(=O)(=O)c1ccc(cc1C(=O)N1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F)C#N

InChI Key: InChIKey=UKVXALXNKRQBET-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443615   
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
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50443615
PNG
(CHEMBL3092199)
Show SMILES CS(=O)(=O)c1ccc(cc1C(=O)N1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C24H24F3N3O5S2/c1-36(32,33)22-8-5-16(15-28)13-21(22)23(31)29-11-9-19(10-12-29)30(18-6-7-18)37(34,35)20-4-2-3-17(14-20)24(25,26)27/h2-5,8,13-14,18-19H,6-7,9-12H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of PXR (unknown origin)


ACS Med Chem Lett 4: 1064-8 (2013)


Article DOI: 10.1021/ml4002612
BindingDB Entry DOI: 10.7270/Q2FT8NHJ
More data for this
Ligand-Target Pair