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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50505451'   
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
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50505451
PNG
(CHEMBL4586457)
Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CN4CCN(Cc5cn(CCOCCOCCOc6ccc(cc6)-c6oc7ccccc7c(=O)c6OCc6cccc(c6)C(=O)OC)nn5)CC4)nn3)cc2)c1
Show InChI InChI=1S/C70H72N8O16/c1-83-69(81)53-11-7-9-49(41-53)47-91-67-63(79)59-13-3-5-15-61(59)93-65(67)51-17-21-57(22-18-51)89-39-37-87-35-33-85-31-29-77-45-55(71-73-77)43-75-25-27-76(28-26-75)44-56-46-78(74-72-56)30-32-86-34-36-88-38-40-90-58-23-19-52(20-24-58)66-68(64(80)60-14-4-6-16-62(60)94-66)92-48-50-10-8-12-54(42-50)70(82)84-2/h3-24,41-42,45-46H,25-40,43-44,47-48H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of P-gp (unknown origin) expressed in human LCC6MDR cells assessed as reversal of paclitaxel 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