Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50074007'   

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-1A adrenergic receptor (Homo sapiens (Human))	BDBM50074007 (6-(3,5-dimethyl-4-isoxazolylsulfonamido)-1'-[2-(1-...) Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1 Show InChI InChI=1S/C30H31N3O5S/c1-20-29(21(2)38-31-20)39(35,36)32-24-10-11-28-26(18-24)27(34)19-30(37-28)13-16-33(17-14-30)15-12-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,18,32H,12-17,19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability of the compound to displace [125I]-HEAT from cloned human Alpha-1A adrenergic receptor stably expressed in CHO cells				Bioorg Med Chem Lett 9: 291-4 (1999) BindingDB Entry DOI: 10.7270/Q20G3JBP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50074007 (6-(3,5-dimethyl-4-isoxazolylsulfonamido)-1'-[2-(1-...) Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1 Show InChI InChI=1S/C30H31N3O5S/c1-20-29(21(2)38-31-20)39(35,36)32-24-10-11-28-26(18-24)27(34)19-30(37-28)13-16-33(17-14-30)15-12-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,18,32H,12-17,19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Binding affinity of the compound against Alpha-1A adrenergic receptor in human prostatic tissue				Bioorg Med Chem Lett 9: 291-4 (1999) BindingDB Entry DOI: 10.7270/Q20G3JBP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50074007 (6-(3,5-dimethyl-4-isoxazolylsulfonamido)-1'-[2-(1-...) Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1 Show InChI InChI=1S/C30H31N3O5S/c1-20-29(21(2)38-31-20)39(35,36)32-24-10-11-28-26(18-24)27(34)19-30(37-28)13-16-33(17-14-30)15-12-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,18,32H,12-17,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Binding affinity of the compound against Alpha-1A adrenergic receptor in rat prostatic tissue				Bioorg Med Chem Lett 9: 291-4 (1999) BindingDB Entry DOI: 10.7270/Q20G3JBP
					More data for this Ligand-Target Pair