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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 = 'BDBM50485592'   
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))
BDBM50485592
PNG
(CHEMBL350445)
Show SMILES [H][C@](O)(COc1cccc2ncccc12)CN1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H31N3O3/c34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,25,29,34H,17-22H2/t25-/m1/s1
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MCE
PC cid
PC sid
UniChem
Article
PubMed
400n/an/an/an/an/an/an/an/a



Nihon Schering K.K.

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taxol transepithelial transport (basal to apical) in Caco-2 cells


Cancer Chemother Pharmacol 49: 322-8 (2002)


Article DOI: 10.1007/s00280-001-0419-x
BindingDB Entry DOI: 10.7270/Q2FJ2KM1
More data for this
Ligand-Target Pair