BindingDB logo
myBDB logout

BDBM50294040 2-(3,3-Diethylureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic Acid::CHEMBL562300

SMILES: CCN(CC)C(=O)Nc1sc2CCCCc2c1C(O)=O

InChI Key: InChIKey=BCOAGUVOBMNDRW-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50294040   
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))
BDBM50294040
PNG
(2-(3,3-Diethylureido)-4,5,6,7-tetrahydrobenzo[b]th...)
Show SMILES CCN(CC)C(=O)Nc1sc2CCCCc2c1C(O)=O
Show InChI InChI=1S/C14H20N2O3S/c1-3-16(4-2)14(19)15-12-11(13(17)18)9-7-5-6-8-10(9)20-12/h3-8H2,1-2H3,(H,15,19)(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.29E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp an...


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