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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 = 'BDBM50505470'   
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))		BDBM50505470
PNG
(CHEMBL4552416)
Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCOc4ccc(cc4)-c4cc(=O)c5ccc(F)cc5o4)nn3)cc2)c1
Show InChI InChI=1S/C48H40FN3O10/c1-56-48(55)34-7-4-6-31(26-34)30-60-47-45(54)40-9-2-3-10-42(40)62-46(47)33-13-18-38(19-14-33)59-25-24-57-23-21-52-29-36(50-51-52)8-5-22-58-37-16-11-32(12-17-37)43-28-41(53)39-20-15-35(49)27-44(39)61-43/h2-4,6-7,9-20,26-29H,5,8,21-25,30H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 137n/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