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SMILES: CCC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2C

InChI Key: InChIKey=CDISWMIAALSMLV-LCSXWQTCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50472998   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50472998
PNG
(CHEMBL336300)
Show SMILES CCC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2C |THB:11:10:20:6.7,2:4:20:6.7|
Show InChI InChI=1S/C18H23NO3/c1-3-15(20)17-14-10-9-13(19(14)2)11-16(17)22-18(21)12-7-5-4-6-8-12/h4-8,13-14,16-17H,3,9-11H2,1-2H3/t13?,14?,16-,17-/m0/s1
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Article
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 309n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radioligand

J Med Chem 43: 4151-9 (2000)


Article DOI: 10.1021/jm990472s
BindingDB Entry DOI: 10.7270/Q2PK0JWZ
More data for this
Ligand-Target Pair