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SMILES: [H][C@@]12CCC(N1S(=O)(=O)N=C=O)[C@]([H])([C@H](C2)OC(=O)c1ccccc1)C(=O)OC

InChI Key: InChIKey=NFNCQFPCRNGGKT-AVOUXACISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037521   
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))		BDBM50037521
PNG
((2R,3S,8S)-3-Benzoyloxy-8-isocyanatosulfonyl-8-aza...)
Show SMILES [H][C@@]12CCC(N1S(=O)(=O)N=C=O)[C@]([H])([C@H](C2)OC(=O)c1ccccc1)C(=O)OC |TLB:6:5:12.14.15:3.2,THB:16:14:5:3.2,25:12:5:3.2|
Show InChI InChI=1S/C17H18N2O7S/c1-25-17(22)15-13-8-7-12(19(13)27(23,24)18-10-20)9-14(15)26-16(21)11-5-3-2-4-6-11/h2-6,12-15H,7-9H2,1H3/t12-,13?,14-,15+/m0/s1
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Similars
PubMed
 120n/an/an/an/an/an/an/an/a



Trophix Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was tested by measuring its ability to displace [3H]mazindol binding against dopamine transporter (DAT) of rat striatal membranes

J Med Chem 37: 3440-2 (1994)


BindingDB Entry DOI: 10.7270/Q2GB24PS
More data for this
Ligand-Target Pair