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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 = 'BDBM50015311'   
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))		BDBM50015311
PNG
(CHEMBL3263827)
Show SMILES COc1ccc(NC(=O)c2csc(n2)[C@@H](NC(=O)c2csc(n2)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)c(OC)c1 |r|
Show InChI InChI=1S/C29H39N5O6S2/c1-15(2)22(26-31-19(13-41-26)24(35)30-18-11-10-17(38-8)12-21(18)39-9)33-25(36)20-14-42-27(32-20)23(16(3)4)34-28(37)40-29(5,6)7/h10-16,22-23H,1-9H3,(H,30,35)(H,33,36)(H,34,37)/t22-,23-/m0/s1
PDB

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human wild type P-gp expressed in BacMam virus infected human HeLa cells assessed as calcein-AM accumulation after 10 mins by flow cyto...

J Med Chem 57: 4058-72 (2014)


Article DOI: 10.1021/jm401966m
BindingDB Entry DOI: 10.7270/Q2794671
More data for this
Ligand-Target Pair