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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for entry = 50042043   
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))		BDBM82507
PNG
((+/-)-Methadone | CAS_5967-73-7 | METHADONE | Meth...)
Show SMILES CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Rhodamine 123 transepithelial transport (basal to apical) (Rhodamine 123: 5 uM) in Caco-2 cells

Drug Metab Dispos 29: 954-6 (2001)


BindingDB Entry DOI: 10.7270/Q2HQ4164
More data for this
Ligand-Target Pair