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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 = 'BDBM50099300'   
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


(Rattus norvegicus (rat))		BDBM50099300
PNG
(3N-{8-[4-(4-chlorophenyl)-1-methyl-(3S,4R)-hexahyd...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H48Cl2N4O2/c1-39-21-17-29(25-9-13-27(35)14-10-25)31(23-39)33(41)37-19-7-5-3-4-6-8-20-38-34(42)32-24-40(2)22-18-30(32)26-11-15-28(36)16-12-26/h9-16,29-32H,3-8,17-24H2,1-2H3,(H,37,41)(H,38,42)/t29-,30-,31+,32+/m0/s1
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Similars
PubMed
 3.18E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of DA into the nerve endings of rat synaptosomes using [3H]DA as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair