Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-2A adrenergic receptor'   

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)	BDBM50027227 (3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...) Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21 Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)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	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)	BDBM50027227 (3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...) Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21 Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)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 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)	BDBM31005 (2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...) Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	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)	BDBM50224790 (CHEMBL333794) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC Show InChI InChI=1S/C15H18N2O/c1-2-17-6-7-18-15-11-4-3-5-12-14(11)10(9-16-12)8-13(15)17/h3-5,9,13,15-16H,2,6-8H2,1H3/t13-,15-/m1/s1	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 In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex				J Med Chem 26: 363-7 (1983) BindingDB Entry DOI: 10.7270/Q2BG2R63
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM31005 (2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...) Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	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)	BDBM50224793 (CHEMBL330997) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2C Show InChI InChI=1S/C14H16N2O/c1-16-5-6-17-14-10-3-2-4-11-13(10)9(8-15-11)7-12(14)16/h2-4,8,12,14-15H,5-7H2,1H3/t12-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex				J Med Chem 26: 363-7 (1983) BindingDB Entry DOI: 10.7270/Q2BG2R63
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50224791 (CHEMBL333795 | RU-29717) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CCC Show InChI InChI=1S/C16H20N2O/c1-2-6-18-7-8-19-16-12-4-3-5-13-15(12)11(10-17-13)9-14(16)18/h3-5,10,14,16-17H,2,6-9H2,1H3/t14-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex				J Med Chem 26: 363-7 (1983) BindingDB Entry DOI: 10.7270/Q2BG2R63
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50224790 (CHEMBL333794) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC Show InChI InChI=1S/C15H18N2O/c1-2-17-6-7-18-15-11-4-3-5-12-14(11)10(9-16-12)8-13(15)17/h3-5,9,13,15-16H,2,6-8H2,1H3/t13-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex				J Med Chem 26: 363-7 (1983) BindingDB Entry DOI: 10.7270/Q2BG2R63
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50017543 ((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...) Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r| Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex				J Med Chem 26: 363-7 (1983) BindingDB Entry DOI: 10.7270/Q2BG2R63
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50224795 (CHEMBL332337) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CCCC Show InChI InChI=1S/C17H22N2O/c1-2-3-7-19-8-9-20-17-13-5-4-6-14-16(13)12(11-18-14)10-15(17)19/h4-6,11,15,17-18H,2-3,7-10H2,1H3/t15-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex				J Med Chem 26: 363-7 (1983) BindingDB Entry DOI: 10.7270/Q2BG2R63
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50224794 (CHEMBL121653) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2 Show InChI InChI=1S/C13H14N2O/c1-2-9-12-8(7-15-10(12)3-1)6-11-13(9)16-5-4-14-11/h1-3,7,11,13-15H,4-6H2/t11-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex				J Med Chem 26: 363-7 (1983) BindingDB Entry DOI: 10.7270/Q2BG2R63
					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
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50224792 (CHEMBL332546) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC=C Show InChI InChI=1S/C16H18N2O/c1-2-6-18-7-8-19-16-12-4-3-5-13-15(12)11(10-17-13)9-14(16)18/h2-5,10,14,16-17H,1,6-9H2/t14-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex				J Med Chem 26: 363-7 (1983) BindingDB Entry DOI: 10.7270/Q2BG2R63
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM31005 (2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...) Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	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]5-HT from calf caudate nucleus				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)	BDBM50027227 (3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...) Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21 Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)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	500	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]5-HT from calf caudate nucleus				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)	BDBM81993 (BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...) Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28| Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	514	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex				J Med Chem 26: 363-7 (1983) BindingDB Entry DOI: 10.7270/Q2BG2R63
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50224790 (CHEMBL333794) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC Show InChI InChI=1S/C15H18N2O/c1-2-17-6-7-18-15-11-4-3-5-12-14(11)10(9-16-12)8-13(15)17/h3-5,9,13,15-16H,2,6-8H2,1H3/t13-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex				J Med Chem 26: 363-7 (1983) BindingDB Entry DOI: 10.7270/Q2BG2R63
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50224790 (CHEMBL333794) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC Show InChI InChI=1S/C15H18N2O/c1-2-17-6-7-18-15-11-4-3-5-12-14(11)10(9-16-12)8-13(15)17/h3-5,9,13,15-16H,2,6-8H2,1H3/t13-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex				J Med Chem 26: 363-7 (1983) BindingDB Entry DOI: 10.7270/Q2BG2R63
					More data for this Ligand-Target Pair