Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50048718   

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))	BDBM50226153 (CHEMBL545092) Show SMILES Br.Oc1ccc2C(CCc2c1O)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2.BrH/c15-10-4-3-7-8(11(10)16)1-2-9(7)12-13-5-6-14-12;/h3-4,9,15-16H,1-2,5-6H2,(H,13,14);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards alpha-2 adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					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))	BDBM50226155 (CHEMBL543684) Show SMILES Br.Oc1ccc2C(CCCc2c1O)C1=NCCN1 |t:14| Show InChI InChI=1S/C13H16N2O2.BrH/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13;/h4-5,10,16-17H,1-3,6-7H2,(H,14,15);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards alpha-2 adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					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))	BDBM50029051 ((-)-arterenol | (-)-noradrenaline | (-)-norepineph...) Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards alpha-2 adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					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))	BDBM50226156 (CHEMBL544627) Show SMILES Br.Oc1ccc2C(Cc2c1O)C1=NCCN1 |t:12| Show InChI InChI=1S/C11H12N2O2.BrH/c14-9-2-1-6-7(10(9)15)5-8(6)11-12-3-4-13-11;/h1-2,8,14-15H,3-5H2,(H,12,13);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards alpha-2 adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226153 (CHEMBL545092) Show SMILES Br.Oc1ccc2C(CCc2c1O)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2.BrH/c15-10-4-3-7-8(11(10)16)1-2-9(7)12-13-5-6-14-12;/h3-4,9,15-16H,1-2,5-6H2,(H,13,14);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50029051 ((-)-arterenol | (-)-noradrenaline | (-)-norepineph...) Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226155 (CHEMBL543684) Show SMILES Br.Oc1ccc2C(CCCc2c1O)C1=NCCN1 |t:14| Show InChI InChI=1S/C13H16N2O2.BrH/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13;/h4-5,10,16-17H,1-3,6-7H2,(H,14,15);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226156 (CHEMBL544627) Show SMILES Br.Oc1ccc2C(Cc2c1O)C1=NCCN1 |t:12| Show InChI InChI=1S/C11H12N2O2.BrH/c14-9-2-1-6-7(10(9)15)5-8(6)11-12-3-4-13-11;/h1-2,8,14-15H,3-5H2,(H,12,13);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					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))	BDBM50226154 (CHEMBL554004) Show SMILES Br.Oc1ccc2C(CCCCc2c1O)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H18N2O2.BrH/c17-12-6-5-9-10(13(12)18)3-1-2-4-11(9)14-15-7-8-16-14;/h5-6,11,17-18H,1-4,7-8H2,(H,15,16);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards alpha-2 adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226154 (CHEMBL554004) Show SMILES Br.Oc1ccc2C(CCCCc2c1O)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H18N2O2.BrH/c17-12-6-5-9-10(13(12)18)3-1-2-4-11(9)14-15-7-8-16-14;/h5-6,11,17-18H,1-4,7-8H2,(H,15,16);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					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))	BDBM50226153 (CHEMBL545092) Show SMILES Br.Oc1ccc2C(CCc2c1O)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2.BrH/c15-10-4-3-7-8(11(10)16)1-2-9(7)12-13-5-6-14-12;/h3-4,9,15-16H,1-2,5-6H2,(H,13,14);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]rauwolscine binding to alpha-2-adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					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))	BDBM50226155 (CHEMBL543684) Show SMILES Br.Oc1ccc2C(CCCc2c1O)C1=NCCN1 |t:14| Show InChI InChI=1S/C13H16N2O2.BrH/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13;/h4-5,10,16-17H,1-3,6-7H2,(H,14,15);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]rauwolscine binding to alpha-2-adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					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))	BDBM50029051 ((-)-arterenol | (-)-noradrenaline | (-)-norepineph...) Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]rauwolscine binding to alpha-2-adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					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))	BDBM50226156 (CHEMBL544627) Show SMILES Br.Oc1ccc2C(Cc2c1O)C1=NCCN1 |t:12| Show InChI InChI=1S/C11H12N2O2.BrH/c14-9-2-1-6-7(10(9)15)5-8(6)11-12-3-4-13-11;/h1-2,8,14-15H,3-5H2,(H,12,13);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]rauwolscine binding to alpha-2-adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226153 (CHEMBL545092) Show SMILES Br.Oc1ccc2C(CCc2c1O)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2.BrH/c15-10-4-3-7-8(11(10)16)1-2-9(7)12-13-5-6-14-12;/h3-4,9,15-16H,1-2,5-6H2,(H,13,14);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50029051 ((-)-arterenol | (-)-noradrenaline | (-)-norepineph...) Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226155 (CHEMBL543684) Show SMILES Br.Oc1ccc2C(CCCc2c1O)C1=NCCN1 |t:14| Show InChI InChI=1S/C13H16N2O2.BrH/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13;/h4-5,10,16-17H,1-3,6-7H2,(H,14,15);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					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))	BDBM50226154 (CHEMBL554004) Show SMILES Br.Oc1ccc2C(CCCCc2c1O)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H18N2O2.BrH/c17-12-6-5-9-10(13(12)18)3-1-2-4-11(9)14-15-7-8-16-14;/h5-6,11,17-18H,1-4,7-8H2,(H,15,16);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]rauwolscine binding to alpha-2-adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226156 (CHEMBL544627) Show SMILES Br.Oc1ccc2C(Cc2c1O)C1=NCCN1 |t:12| Show InChI InChI=1S/C11H12N2O2.BrH/c14-9-2-1-6-7(10(9)15)5-8(6)11-12-3-4-13-11;/h1-2,8,14-15H,3-5H2,(H,12,13);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226154 (CHEMBL554004) Show SMILES Br.Oc1ccc2C(CCCCc2c1O)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H18N2O2.BrH/c17-12-6-5-9-10(13(12)18)3-1-2-4-11(9)14-15-7-8-16-14;/h5-6,11,17-18H,1-4,7-8H2,(H,15,16);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair