Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50087497'   

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 (Rattus norvegicus (Rat))	BDBM50087497 (3-Chloro-7-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-b...) Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nc(Cl)cnc6sc5c4=O)C[C@@H]3CCc12 Show InChI InChI=1S/C23H22ClN5O3S/c1-32-16-4-2-3-13-14(16)6-5-12-10-28(11-15(12)13)7-8-29-22(30)20-18(27-23(29)31)19-21(33-20)25-9-17(24)26-19/h2-4,9,12,15H,5-8,10-11H2,1H3,(H,27,31)/t12-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to alpha-1A adrenergic receptor in rat submaxillary gland				J Med Chem 44: 1971-85 (2001) BindingDB Entry DOI: 10.7270/Q2KP81GH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50087497 (3-Chloro-7-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-b...) Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nc(Cl)cnc6sc5c4=O)C[C@@H]3CCc12 Show InChI InChI=1S/C23H22ClN5O3S/c1-32-16-4-2-3-13-14(16)6-5-12-10-28(11-15(12)13)7-8-29-22(30)20-18(27-23(29)31)19-21(33-20)25-9-17(24)26-19/h2-4,9,12,15H,5-8,10-11H2,1H3,(H,27,31)/t12-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity using [3H]-prazosin as radioligand against adrenoceptor alpha 1A				J Med Chem 43: 1586-603 (2000) BindingDB Entry DOI: 10.7270/Q29C6WNR
					More data for this Ligand-Target Pair