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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 = 'BDBM50221822'   
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))		BDBM50221822
PNG
(CHEMBL232872 | furan-2-carboxylic acid (1S,2R,4S,5...)
Show SMILES CCCCCO[C@@H]1[C@H]2C[C@H](OC(=O)c3ccco3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@@](C)(O)[C@@]13OC2(C)C)OC(C)=O |THB:5:6:18.8.9:31.32|
Show InChI InChI=1S/C29H42O10/c1-8-9-10-13-35-23-19-15-22(38-25(32)20-12-11-14-34-20)28(7)24(37-18(3)31)21(36-17(2)30)16-27(6,33)29(23,28)39-26(19,4)5/h11-12,14,19,21-24,33H,8-10,13,15-16H2,1-7H3/t19-,21+,22+,23-,24+,27-,28-,29+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.81E+3n/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