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

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

InChI Key: InChIKey=YFGHCGITMMYXAQ-LJQANCHMSA-N

Data: 7 KI  4 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 11 hits for monomerid = 50336892   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50336892 ((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...) Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r| 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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	647	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50336892 ((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...) Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r| 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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50336892 ((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...) Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r| 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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/ml1002025 BindingDB Entry DOI: 10.7270/Q2PR7X07
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50336892 ((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...) Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50336892 ((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...) Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r| 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50336892 ((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...) Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50336892 ((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...) Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r| 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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50336892 ((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...) Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r| 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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...				J Med Chem 63: 391-417 (2020) Article DOI: 10.1021/acs.jmedchem.9b01938
					More data for this Ligand-Target Pair
Monoamine transporter (Homo sapiens (Human))	BDBM50336892 ((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...) Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r| 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	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of wild type human NET expressed in HEK293 cells assessed as inhibition of [3H]-MPP+ reuptake preincubated for 5 mins followed by [3H]MPP+...				J Med Chem 63: 391-417 (2020) Article DOI: 10.1021/acs.jmedchem.9b01938
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50336892 ((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...) Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r| 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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of wild type human SERT expressed in HEK293 cells assessed as inhibition of [3H]-5HT reuptake preincubated for 5 mins followed by [3H]5HT ...				J Med Chem 63: 391-417 (2020) Article DOI: 10.1021/acs.jmedchem.9b01938
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50336892 ((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...) Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
					More data for this Ligand-Target Pair