Compile Data Set for Download or QSAR

Found 13 hits of ic50 for monomerid = 50019848   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50019848 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...) Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2| Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research Foundation Curated by ChEMBL					Assay Description Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.				Bioorg Med Chem Lett 10: 71-4 (2000) BindingDB Entry DOI: 10.7270/Q2T72JMX
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Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50019848 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...) Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2| Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research Foundation Curated by ChEMBL					Assay Description Binding affinity at human Alpha-2B adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.				Bioorg Med Chem Lett 10: 71-4 (2000) BindingDB Entry DOI: 10.7270/Q2T72JMX
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Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50019848 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...) Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2| Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research Foundation Curated by ChEMBL					Assay Description Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.				Bioorg Med Chem Lett 10: 71-4 (2000) BindingDB Entry DOI: 10.7270/Q2T72JMX
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50019848 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...) Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2| Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rottapharm S.p.A US Patent					Assay Description Inhibitory activity of compounds was evaluated by a homogeneous luminescent method, the MAO-Glo Assay (Promega), measuring the monoamine oxidase acti...				US Patent US8633208 (2014) BindingDB Entry DOI: 10.7270/Q23J3BMD
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Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50019848 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...) Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2| Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rottapharm S.p.A US Patent					Assay Description Inhibitory activity of compounds was evaluated by a homogeneous luminescent method, the MAO-Glo Assay (Promega), measuring the monoamine oxidase acti...				US Patent US8633208 (2014) BindingDB Entry DOI: 10.7270/Q23J3BMD
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50019848 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...) Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2| Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research Foundation Curated by ChEMBL					Assay Description Binding affinity at human Alpha-1A adrenergic receptor in CHO cells uby [3H]prazosin (0.25 nM) displacement.				Bioorg Med Chem Lett 10: 71-4 (2000) BindingDB Entry DOI: 10.7270/Q2T72JMX
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D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019848 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...) Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2| Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.				J Med Chem 43: 3653-64 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GD3
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Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50019848 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...) Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2| Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against norepinephrine (NE) uptake in rat whole brain synaptosome preparation				J Med Chem 39: 570-81 (1996) Article DOI: 10.1021/jm9506433 BindingDB Entry DOI: 10.7270/Q2BR8R7K
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ATP-binding cassette sub-family C member 3 (Homo sapiens (Human))	BDBM50019848 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...) Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2| Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
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ATP-binding cassette sub-family C member 2 (Homo sapiens (Human))	BDBM50019848 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...) Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2| Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human))	BDBM50019848 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...) Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2| Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50019848 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...) Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2| Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50019848 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...) Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2| Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
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