Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50048704   

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 [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50019492 ((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...) Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50019492 ((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...) Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225888 (CHEMBL61325) Show SMILES CC1(COc2ccccc2O1)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225888 (CHEMBL61325) Show SMILES CC1(COc2ccccc2O1)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225887 (CHEMBL61234) Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019492 ((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...) Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019492 ((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...) Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50019492 ((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...) Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225888 (CHEMBL61325) Show SMILES CC1(COc2ccccc2O1)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	449	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225888 (CHEMBL61325) Show SMILES CC1(COc2ccccc2O1)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	449	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225888 (CHEMBL61325) Show SMILES CC1(COc2ccccc2O1)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	487	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225887 (CHEMBL61234) Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019492 ((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...) Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	6.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225887 (CHEMBL61234) Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225887 (CHEMBL61234) Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225888 (CHEMBL61325) Show SMILES CC1(COc2ccccc2O1)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2/c1-12(11-13-6-7-14-11)8-15-9-4-2-3-5-10(9)16-12/h2-5H,6-8H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225887 (CHEMBL61234) Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.64E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225887 (CHEMBL61234) Show SMILES CC(=C)C1(COc2ccccc2O1)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.64E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex				J Med Chem 29: 2000-3 (1986) BindingDB Entry DOI: 10.7270/Q20V8G02
					More data for this Ligand-Target Pair