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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 = 'BDBM50505466'   
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))		BDBM50505466
PNG
(CHEMBL4463713)
Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1
Show InChI InChI=1S/C50H45N3O11/c1-57-50(56)37-12-7-9-34(29-37)33-62-49-47(55)42-14-5-6-15-44(42)64-48(49)36-16-18-39(19-17-36)61-28-27-59-26-25-58-24-22-53-32-38(51-52-53)13-8-23-60-40-20-21-41-43(54)31-45(63-46(41)30-40)35-10-3-2-4-11-35/h2-7,9-12,14-21,29-32H,8,13,22-28,33H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 181n/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