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BDBM50294038 CHEMBL116734::LY-329146::N-(4-(6-hydroxy-3-(4-(2-(piperidin-1-yl)ethoxy)benzoyl)benzo[b]thiophen-2-yl)phenyl)-N-(methylsulfonyl)methanesulfonamide::N-(4-{3-[4-(2-hexahydro-1-pyridinylethoxy)benzoyl]-6-hydroxybenzo[b]thiophen-2-yl}phenyl)N,N-dimethanesulfonamide

SMILES: CS(=O)(=O)N(c1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1)S(C)(=O)=O

InChI Key: InChIKey=RSJYPIKEOWEIPQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50294038   
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
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50294038
PNG
(CHEMBL116734 | LY-329146 | N-(4-(6-hydroxy-3-(4-(2...)
Show SMILES CS(=O)(=O)N(c1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C30H32N2O7S3/c1-41(35,36)32(42(2,37)38)23-10-6-22(7-11-23)30-28(26-15-12-24(33)20-27(26)40-30)29(34)21-8-13-25(14-9-21)39-19-18-31-16-4-3-5-17-31/h6-15,20,33H,3-5,16-19H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 800n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake (LTC4: 0.5 uM) in membrane vesicles from HL60/ADR cells


Bioorg Med Chem Lett 9: 3381-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Z03996
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50294038
PNG
(CHEMBL116734 | LY-329146 | N-(4-(6-hydroxy-3-(4-(2...)
Show SMILES CS(=O)(=O)N(c1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C30H32N2O7S3/c1-41(35,36)32(42(2,37)38)23-10-6-22(7-11-23)30-28(26-15-12-24(33)20-27(26)40-30)29(34)21-8-13-25(14-9-21)39-19-18-31-16-4-3-5-17-31/h6-15,20,33H,3-5,16-19H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1-mediated transport of [3H]LTC4 expressed in human HeLa T5 cells by liquid scintillation counting


J Med Chem 52: 4586-95 (2009)


Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46
More data for this
Ligand-Target Pair