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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM50515953'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50515953
PNG
(CHEMBL4476816)
Show SMILES COc1cc(\C=C\C(=O)OC[C@@H](C)CN(C)CCCCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |r|
Show InChI InChI=1S/C34H49NO10/c1-24(23-45-31(36)15-14-25-18-27(38-3)32(42-7)28(19-25)39-4)22-35(2)16-12-10-9-11-13-17-44-34(37)26-20-29(40-5)33(43-8)30(21-26)41-6/h14-15,18-21,24H,9-13,16-17,22-23H2,1-8H3/b15-14+/t24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells assessed as increase in calcein-AM accumulation incubated for 30 mins by calcein-AM dye b...

Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111655
BindingDB Entry DOI: 10.7270/Q2ZW1Q9C
More data for this
Ligand-Target Pair