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BDBM50336892 (R)-Modafinil::ARMODAFINIL::CHEMBL1201192::Nuvigil

SMILES: NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=YFGHCGITMMYXAQ-LJQANCHMSA-N

Data: 7 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50336892   
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
Monoamine transporters; Norepinephrine & dopamine


(Homo sapiens (human))
BDBM50336892
PNG
((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...)
Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1
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PubMed
647n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from wild type human DAT expressed in COS7 cell membranes incubated for >90 mins by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50336892
PNG
((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...)
Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1
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PubMed
3.05E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50336892
PNG
((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...)
Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1
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Article
PubMed
3.26E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse - Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain membranes


ACS Med Chem Lett 2: 48-52 (2011)

More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50336892
PNG
((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...)
Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1
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PubMed
3.90E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50336892
PNG
((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...)
Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in whole-guinea pig brain minus cerebellum homogenates incubated for 120 mins by radioligand...


J Med Chem 59: 10676-10691 (2016)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50336892
PNG
((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...)
Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)

More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50336892
PNG
((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...)
Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1
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CHEMBL
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PC sid
UniChem

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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D4R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50336892
PNG
((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...)
Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1
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CHEMBL
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PC sid
UniChem

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PubMed
n/an/a 2.10n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Antagonist activity at DRD2 (unknown origin) expressed in HEK293T cells transfected with Galphai1-RLuc8 and gamma2-GFP10 assessed as inhibition of qu...


J Med Chem 59: 10676-10691 (2016)

More data for this
Ligand-Target Pair