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SMILES: COc1cc2CCN(CCc3ccc(NC(=O)c4cccnc4NCc4ccncc4)cc3)Cc2cc1OC

InChI Key: InChIKey=IIXHUWSCQWCPGQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50265388   
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))		BDBM50265388
PNG
(CHEMBL4097071)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cccnc4NCc4ccncc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C31H33N5O3/c1-38-28-18-24-12-17-36(21-25(24)19-29(28)39-2)16-11-22-5-7-26(8-6-22)35-31(37)27-4-3-13-33-30(27)34-20-23-9-14-32-15-10-23/h3-10,13-15,18-19H,11-12,16-17,20-21H2,1-2H3,(H,33,34)(H,35,37)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 120n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring compound concentration required ...

J Med Chem 60: 2930-2943 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01879
BindingDB Entry DOI: 10.7270/Q2CR5WT1
More data for this
Ligand-Target Pair