Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-2A adrenergic receptor' and Ligand = 'BDBM50027226'   

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/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50027226 (3-Methyl-1,2,3,4,4a,8-hexahydro-7-thia-3,12b-diaza...) Show SMILES CN1CCN2C(C1)c1ccsc1Cc1ccccc21 Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-16-13(6-9-19-16)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site A using [3H]clonidine				J Med Chem 26: 1116-22 (1983) BindingDB Entry DOI: 10.7270/Q2SN07ZR
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50027226 (3-Methyl-1,2,3,4,4a,8-hexahydro-7-thia-3,12b-diaza...) Show SMILES CN1CCN2C(C1)c1ccsc1Cc1ccccc21 Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-16-13(6-9-19-16)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site B using [3H]-clonidine				J Med Chem 26: 1116-22 (1983) BindingDB Entry DOI: 10.7270/Q2SN07ZR
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50027226 (3-Methyl-1,2,3,4,4a,8-hexahydro-7-thia-3,12b-diaza...) Show SMILES CN1CCN2C(C1)c1ccsc1Cc1ccccc21 Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-16-13(6-9-19-16)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of alpha-adrenoceptor by interacting with high affinity, [3H]serotonin from calf caudate nucleus				J Med Chem 26: 1116-22 (1983) BindingDB Entry DOI: 10.7270/Q2SN07ZR
					More data for this Ligand-Target Pair