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BDBM50268587 CHEMBL3356782

SMILES: COc1cc2CCN(CCn3cc(COc4ccccc4NC(=O)c4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC

InChI Key: InChIKey=ZFUDOZQPYNMBCQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50268587   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50268587
PNG
(CHEMBL3356782)
Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4NC(=O)c4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC
Show InChI InChI=1S/C33H39N5O4/c1-33(2,3)26-12-10-23(11-13-26)32(39)34-28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-24-18-30(40-4)31(41-5)19-25(24)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China.

Curated by ChEMBL


Assay Description
Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 5 uM measured after ...

Bioorg Med Chem 25: 4194-4202 (2017)


Article DOI: 10.1016/j.bmc.2017.06.015
BindingDB Entry DOI: 10.7270/Q26H4KWV
More data for this
Ligand-Target Pair