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SMILES: COC(=O)C[C@@H]1C2C[C@H](C)C(C[C@@H]1Cc1ccccc1)N2C

InChI Key: InChIKey=XNYVYLZVMYKJLQ-VYAKSYEXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50472992   
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))		BDBM50472992
PNG
(CHEMBL132958)
Show SMILES COC(=O)C[C@@H]1C2C[C@H](C)C(C[C@@H]1Cc1ccccc1)N2C |TLB:13:12:20:7.8,9:8:20:5.12.11,THB:4:5:20:7.8|
Show InChI InChI=1S/C19H27NO2/c1-13-9-18-16(12-19(21)22-3)15(11-17(13)20(18)2)10-14-7-5-4-6-8-14/h4-8,13,15-18H,9-12H2,1-3H3/t13-,15-,16-,17?,18?/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
 214n/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