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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 = 'BDBM50221858'   
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))		BDBM50221858
PNG
((1S,2R,4S,5R,6R,7S,9R,12R)-5-(acetyloxy)-12-[(fura...)
Show SMILES CCCCCO[C@H]1C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1ccco1 |TLB:35:34:27.17.18:12.13|
Show InChI InChI=1S/C32H42O11/c1-7-8-9-14-39-23-18-30(5,36)32-25(42-28(35)22-13-11-16-38-22)20(29(3,4)43-32)17-24(31(32,6)26(23)40-19(2)33)41-27(34)21-12-10-15-37-21/h10-13,15-16,20,23-26,36H,7-9,14,17-18H2,1-6H3/t20-,23+,24+,25-,26+,30-,31-,32+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 570n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay

J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair