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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 = 'BDBM50429199'   
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))		BDBM50429199
PNG
(CHEMBL2338113)
Show SMILES COc1cc2CCN(Cc3csc(n3)-c3ccc4cc(F)ccc4c3)Cc2cc1OC
Show InChI InChI=1S/C25H23FN2O2S/c1-29-23-11-18-7-8-28(13-20(18)12-24(23)30-2)14-22-15-31-25(27-22)19-4-3-17-10-21(26)6-5-16(17)9-19/h3-6,9-12,15H,7-8,13-14H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 4.80E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am a...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair