BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM50505436'   
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))		BDBM50505436
PNG
(CHEMBL4454217)
Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(COCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1
Show InChI InChI=1S/C50H45N3O12/c1-57-50(56)37-11-7-8-34(28-37)32-63-49-47(55)42-12-5-6-13-44(42)65-48(49)36-14-16-39(17-15-36)61-26-24-59-23-22-58-21-20-53-31-38(51-52-53)33-60-25-27-62-40-18-19-41-43(54)30-45(64-46(41)29-40)35-9-3-2-4-10-35/h2-19,28-31H,20-27,32-33H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 180n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in human 2008/MRP1 assessed as reversal of doxorubicin resistance after 5 days by MTS/PMS assay

J Med Chem 62: 8578-8608 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00963
BindingDB Entry DOI: 10.7270/Q28S4T5Q
More data for this
Ligand-Target Pair