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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 = 'BDBM50032259'   
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))
BDBM50032259
PNG
(CHEMBL3352975)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)c1ccc(o1)-c1ccc(O)cc1
Show InChI InChI=1S/C22H21NO5/c1-26-20-11-15-9-10-23(13-16(15)12-21(20)27-2)22(25)19-8-7-18(28-19)14-3-5-17(24)6-4-14/h3-8,11-12,24H,9-10,13H2,1-2H3
PDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 6.40E+3n/an/an/an/a



Universit£ degli Studi di Bari"A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) over-expressed in MDCK cells assessed as calcein accumulation incubated for 30 mins prior to Calcein-AM addition ...


J Med Chem 57: 9983-94 (2014)


Article DOI: 10.1021/jm501640e
BindingDB Entry DOI: 10.7270/Q2K9394N
More data for this
Ligand-Target Pair