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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50058289'   
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
Sodium-dependent dopamine transporter


(Macaca fascicularis)		BDBM50058289
PNG
((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(5-phe...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCCc1ccccc1 |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
Show InChI InChI=1S/C33H37F2NO3/c1-38-33(37)31-29-20-19-28(36(29)21-7-3-6-10-23-8-4-2-5-9-23)22-30(31)39-32(24-11-15-26(34)16-12-24)25-13-17-27(35)18-14-25/h2,4-5,8-9,11-18,28-32H,3,6-7,10,19-22H2,1H3/t28?,29?,30-,31+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN35,428 binding to dopamine transporter using of Cynomolgus monkey caudate-putamen

J Med Chem 40: 1835-44 (1997)


Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX
More data for this
Ligand-Target Pair