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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 = 'BDBM50039124'   
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))		BDBM50039124
PNG
(CHEMBL3355374)
Show SMILES COc1ccc2[C@@H](CCc2c1OC)NCCCCc1cn(-c2ccc(F)cc2)c2ccccc12 |r|
Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-15-24-25(29(28)34-2)14-16-26(24)31-18-6-5-7-20-19-32(22-12-10-21(30)11-13-22)27-9-4-3-8-23(20)27/h3-4,8-13,15,17,19,26,31H,5-7,14,16,18H2,1-2H3/t26-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 3.45E+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-MDR1 cells by Calcein-AM assay

Eur J Med Chem 89: 691-700 (2014)


Article DOI: 10.1016/j.ejmech.2014.11.001
BindingDB Entry DOI: 10.7270/Q2CZ38SF
More data for this
Ligand-Target Pair