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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 = 'BDBM50516348'   
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))		BDBM50516348
PNG
(CHEMBL4442173)
Show SMILES COc1cc(NC(=O)c2coc3ccccc3c2=O)c(cc1OC)-c1nnn(n1)-c1ccc(CCN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C36H32N6O5/c1-45-32-19-28(30(20-33(32)46-2)37-36(44)29-22-47-31-10-6-5-9-27(31)34(29)43)35-38-40-42(39-35)26-13-11-23(12-14-26)15-17-41-18-16-24-7-3-4-8-25(24)21-41/h3-14,19-20,22H,15-18,21H2,1-2H3,(H,37,44)
PDB

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Henan University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of Pgp (unknown origin) expressed in MDCK cells assessed as reduction in paclitaxel transport

Eur J Med Chem 178: 341-351 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.071
BindingDB Entry DOI: 10.7270/Q2BZ69DR
More data for this
Ligand-Target Pair