Compile Data Set for Download or QSAR

Found 52 hits of kd data for polymerid = 3629,49000190,49000199,49000200,49000203   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50403647 (CHEMBL27013) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccco1 Show InChI InChI=1S/C23H31N5O4/c1-27(22(29)18-10-9-13-32-18)11-7-5-6-8-12-28(2)23-25-17-15-20(31-4)19(30-3)14-16(17)21(24)26-23/h9-10,13-15H,5-8,11-12H2,1-4H3,(H2,24,25,26)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.145	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50060964 ((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...) Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.204	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro antagonism against Alpha-1B adrenergic receptor using phenylephrine (PE) challenge in rat spleen				J Med Chem 40: 3141-3 (1997) Article DOI: 10.1021/jm970364a BindingDB Entry DOI: 10.7270/Q2R78DBB
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50392641 (CHEMBL2153553) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.263	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins				Eur J Med Chem 58: 184-91 (2012) Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM86731 (CAS_74191-85-8 | DOXAZOSIN | Doxazosin | UK 33,274) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1 Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.309	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonist activity at rat Alpha-1B adrenoceptor assessed as inhibition if phenylephrine-induced contraction of spleen				J Med Chem 52: 4951-4 (2009) Article DOI: 10.1021/jm8016046 BindingDB Entry DOI: 10.7270/Q2NZ88W5
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408671 (CHEMBL144224) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1 Show InChI InChI=1S/C25H33N5O3/c1-29(24(31)18-12-8-7-9-13-18)14-10-5-6-11-15-30(2)25-27-20-17-22(33-4)21(32-3)16-19(20)23(26)28-25/h7-9,12-13,16-17H,5-6,10-11,14-15H2,1-4H3,(H2,26,27,28)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.447	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408676 (CHEMBL138681) Show SMILES CNCCCCCCN(C)Cc1ccc(cc1)C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C34H53N7O3/c1-36-19-11-7-8-12-20-39(2)25-26-15-17-27(18-16-26)33(42)40(3)21-13-9-10-14-22-41(4)34-37-29-24-31(44-6)30(43-5)23-28(29)32(35)38-34/h15-18,23-24,36H,7-14,19-22,25H2,1-6H3,(H2,35,37,38)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.617	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50403649 (CYCLAZOSIN) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1 Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.661	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonist activity at rat Alpha-1B adrenoceptor assessed as inhibition if phenylephrine-induced contraction of spleen				J Med Chem 52: 4951-4 (2009) Article DOI: 10.1021/jm8016046 BindingDB Entry DOI: 10.7270/Q2NZ88W5
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50392637 (CHEMBL215421) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.676	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins				Eur J Med Chem 58: 184-91 (2012) Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408677 (CHEMBL144776) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CNCCCCCCN Show InChI InChI=1S/C32H49N7O3/c1-38(31(40)25-16-10-9-15-24(25)23-35-18-12-6-5-11-17-33)19-13-7-8-14-20-39(2)32-36-27-22-29(42-4)28(41-3)21-26(27)30(34)37-32/h9-10,15-16,21-22,35H,5-8,11-14,17-20,23,33H2,1-4H3,(H2,34,36,37)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.676	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408674 (CHEMBL358060) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CCl)cc1 Show InChI InChI=1S/C26H34ClN5O3/c1-31(25(33)19-11-9-18(17-27)10-12-19)13-7-5-6-8-14-32(2)26-29-21-16-23(35-4)22(34-3)15-20(21)24(28)30-26/h9-12,15-16H,5-8,13-14,17H2,1-4H3,(H2,28,29,30)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.708	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.977	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Blocking activity was assessed by antagonism of (-)-phenylephrine induced contraction of rat spleen (alpha1B adrenoceptor)				J Med Chem 48: 28-31 (2005) Article DOI: 10.1021/jm049153d BindingDB Entry DOI: 10.7270/Q20866HV
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50410226 (CHEMBL178673) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CC1CCSS1 Show InChI InChI=1S/C19H25N5O3S2/c1-26-15-10-13-14(11-16(15)27-2)21-19(22-18(13)20)24-6-4-23(5-7-24)17(25)9-12-3-8-28-29-12/h10-12H,3-9H2,1-2H3,(H2,20,21,22)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.02	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Blocking activity was assessed by antagonism of (-)-phenylephrine induced contraction of rat spleen (alpha1B adrenoceptor)				J Med Chem 48: 28-31 (2005) Article DOI: 10.1021/jm049153d BindingDB Entry DOI: 10.7270/Q20866HV
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.02	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408675 (CHEMBL144238) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CCl)o1 Show InChI InChI=1S/C24H32ClN5O4/c1-29(23(31)19-10-9-16(15-25)34-19)11-7-5-6-8-12-30(2)24-27-18-14-21(33-4)20(32-3)13-17(18)22(26)28-24/h9-10,13-14H,5-8,11-12,15H2,1-4H3,(H2,26,27,28)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.07	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50417540 (CHEMBL1630940) Show SMILES COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O Show InChI InChI=1S/C20H25F3N2O5S/c1-14(11-15-7-8-18(28-2)19(12-15)31(24,26)27)25-9-10-29-16-5-3-4-6-17(16)30-13-20(21,22)23/h3-8,12,14,25H,9-11,13H2,1-2H3,(H2,24,26,27)/t14-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Antagonist activity at Alpha-1B adrenoceptor in Wistar rat spleen assessed as phenylephrine induced contractions after 30 mins				Eur J Med Chem 45: 5800-7 (2010) Article DOI: 10.1016/j.ejmech.2010.09.042 BindingDB Entry DOI: 10.7270/Q2TX3GNT
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50410227 (CHEMBL175934) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCSS1 Show InChI InChI=1S/C18H23N5O3S2/c1-25-13-9-11-12(10-14(13)26-2)20-18(21-16(11)19)23-6-4-22(5-7-23)17(24)15-3-8-27-28-15/h9-10,15H,3-8H2,1-2H3,(H2,19,20,21)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.74	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Blocking activity was assessed by antagonism of (-)-phenylephrine induced contraction of rat spleen (alpha1B adrenoceptor)				J Med Chem 48: 28-31 (2005) Article DOI: 10.1021/jm049153d BindingDB Entry DOI: 10.7270/Q20866HV
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408680 (CHEMBL144677) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CCl Show InChI InChI=1S/C26H34ClN5O3/c1-31(25(33)19-12-8-7-11-18(19)17-27)13-9-5-6-10-14-32(2)26-29-21-16-23(35-4)22(34-3)15-20(21)24(28)30-26/h7-8,11-12,15-16H,5-6,9-10,13-14,17H2,1-4H3,(H2,28,29,30)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.86	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50411351 (CHEMBL242507) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(C)o1 Show InChI InChI=1S/C24H29N5O4/c1-14-8-9-19(33-14)23(30)28-10-11-29(18-7-5-4-6-17(18)28)24-26-16-13-21(32-3)20(31-2)12-15(16)22(25)27-24/h8-9,12-13,17-18H,4-7,10-11H2,1-3H3,(H2,25,26,27)/t17-,18+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.24	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonist activity against adrenergic Alpha-1B receptor in rat spleen assessed as inhibition of phenylephrine-induced response				Bioorg Med Chem 15: 2334-45 (2007) Article DOI: 10.1016/j.bmc.2007.01.028 BindingDB Entry DOI: 10.7270/Q2G16229
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408679 (CHEMBL342997) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CN(C)C)o1 Show InChI InChI=1S/C26H38N6O4/c1-30(2)17-18-11-12-21(36-18)25(33)31(3)13-9-7-8-10-14-32(4)26-28-20-16-23(35-6)22(34-5)15-19(20)24(27)29-26/h11-12,15-16H,7-10,13-14,17H2,1-6H3,(H2,27,28,29)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408668 (CHEMBL357669) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CN)c1 Show InChI InChI=1S/C26H36N6O3/c1-31(25(33)19-11-9-10-18(14-19)17-27)12-7-5-6-8-13-32(2)26-29-21-16-23(35-4)22(34-3)15-20(21)24(28)30-26/h9-11,14-16H,5-8,12-13,17,27H2,1-4H3,(H2,28,29,30)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.45	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50033111 (1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro antagonism against Alpha-1B adrenergic receptor using phenylephrine (PE) challenge in rat spleen				J Med Chem 40: 3141-3 (1997) Article DOI: 10.1021/jm970364a BindingDB Entry DOI: 10.7270/Q2R78DBB
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50392645 (CHEMBL2153557) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 Show InChI InChI=1S/C19H22FNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.75	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins				Eur J Med Chem 58: 184-91 (2012) Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408678 (CHEMBL144263) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CN(C)C)cc1 Show InChI InChI=1S/C28H40N6O3/c1-32(2)19-20-11-13-21(14-12-20)27(35)33(3)15-9-7-8-10-16-34(4)28-30-23-18-25(37-6)24(36-5)17-22(23)26(29)31-28/h11-14,17-18H,7-10,15-16,19H2,1-6H3,(H2,29,30,31)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.95	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50158584 (2-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C1=CC(=O)c2ccccc2C1=O Show InChI InChI=1S/C24H23N5O4/c1-32-20-11-16-17(12-21(20)33-2)26-24(27-23(16)25)29-9-7-28(8-10-29)18-13-19(30)14-5-3-4-6-15(14)22(18)31/h3-6,11-13H,7-10H2,1-2H3,(H2,25,26,27)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.09	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Blocking activity was assessed by antagonism of (-)-phenylephrine induced contraction of rat spleen (alpha1B adrenoceptor)				J Med Chem 48: 28-31 (2005) Article DOI: 10.1021/jm049153d BindingDB Entry DOI: 10.7270/Q20866HV
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM69602 (2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...) Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1 Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.17	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Antagonistic activity against (-)-phenylephrine-induced contraction of rat spleen (Alpha-1B adrenergic receptor )				J Med Chem 46: 1504-11 (2003) Article DOI: 10.1021/jm021078o BindingDB Entry DOI: 10.7270/Q2VQ33WN
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM69602 (2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...) Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1 Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.92	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonistic affinity tested against isolated Rat Spleen Alpha-1B adrenergic receptor				J Med Chem 45: 1633-43 (2002) Article DOI: 10.1021/jm011066n BindingDB Entry DOI: 10.7270/Q2542PSW
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50392643 (CHEMBL2153555) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 Show InChI InChI=1S/C19H22ClNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.91	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins				Eur J Med Chem 58: 184-91 (2012) Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408682 (CHEMBL148061) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CN2CCSC2)c1 Show InChI InChI=1S/C29H40N6O3S/c1-33(28(36)22-11-9-10-21(16-22)19-35-14-15-39-20-35)12-7-5-6-8-13-34(2)29-31-24-18-26(38-4)25(37-3)17-23(24)27(30)32-29/h9-11,16-18H,5-8,12-15,19-20H2,1-4H3,(H2,30,31,32)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.33	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408670 (CHEMBL144768) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CN2CCSC2)cc1 Show InChI InChI=1S/C29H40N6O3S/c1-33(28(36)22-11-9-21(10-12-22)19-35-15-16-39-20-35)13-7-5-6-8-14-34(2)29-31-24-18-26(38-4)25(37-3)17-23(24)27(30)32-29/h9-12,17-18H,5-8,13-16,19-20H2,1-4H3,(H2,30,31,32)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.77	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50060965 (2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...) Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12 Show InChI InChI=1S/C24H24N4O3S/c1-31-18-5-2-4-15-16(18)8-7-14-12-27(13-17(14)15)10-11-28-23(29)22-21(26-24(28)30)20-19(32-22)6-3-9-25-20/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,26,30)/t14-,17+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro antagonism against Alpha-1B adrenergic receptor using phenylephrine (PE) challenge in rat spleen				J Med Chem 40: 3141-3 (1997) Article DOI: 10.1021/jm970364a BindingDB Entry DOI: 10.7270/Q2R78DBB
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408669 (CHEMBL146724) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CN(C)C Show InChI InChI=1S/C28H40N6O3/c1-32(2)19-20-13-9-10-14-21(20)27(35)33(3)15-11-7-8-12-16-34(4)28-30-23-18-25(37-6)24(36-5)17-22(23)26(29)31-28/h9-10,13-14,17-18H,7-8,11-12,15-16,19H2,1-6H3,(H2,29,30,31)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	13.2	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50392639 (CHEMBL2153551) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 Show InChI InChI=1S/C19H23NO6/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-20-11-13-12-25-17-8-3-5-14(21)18(17)26-13/h3-8,13,20-21H,9-12H2,1-2H3/t13-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins				Eur J Med Chem 58: 184-91 (2012) Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50392647 (CHEMBL2153559) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-20-17(24-3)8-5-9-18(20)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	16.6	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins				Eur J Med Chem 58: 184-91 (2012) Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408672 (CHEMBL144000) Show SMILES CNCCCCCCN(C)Cc1cccc(c1)C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C34H53N7O3/c1-36-18-11-7-8-12-19-39(2)25-26-16-15-17-27(22-26)33(42)40(3)20-13-9-10-14-21-41(4)34-37-29-24-31(44-6)30(43-5)23-28(29)32(35)38-34/h15-17,22-24,36H,7-14,18-21,25H2,1-6H3,(H2,35,37,38)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	19.5	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50409687 (CHEMBL44403) Show SMILES COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O Show InChI InChI=1S/C27H29NO4/c1-30-24-13-8-14-25(31-2)27(24)32-16-15-28-18-20-17-23(19-9-4-3-5-10-19)21-11-6-7-12-22(21)26(20)29/h3-14,20,23,28H,15-18H2,1-2H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	26.3	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonistic affinity tested against isolated Rat Spleen Alpha-1B adrenergic receptor				J Med Chem 45: 1633-43 (2002) Article DOI: 10.1021/jm011066n BindingDB Entry DOI: 10.7270/Q2542PSW
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50026917 (8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...) Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	28.2	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50409690 (CHEMBL42472) Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 Show InChI InChI=1S/C26H29NO4/c1-28-24-13-8-14-25(29-2)26(24)30-16-15-27-18-20-17-22(19-9-4-3-5-10-19)21-11-6-7-12-23(21)31-20/h3-14,20,22,27H,15-18H2,1-2H3/t20-,22+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	28.8	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonistic affinity tested against isolated Rat Spleen Alpha-1B adrenergic receptor				J Med Chem 45: 1633-43 (2002) Article DOI: 10.1021/jm011066n BindingDB Entry DOI: 10.7270/Q2542PSW
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50417539 (CHEMBL1630941) Show SMILES COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O Show InChI InChI=1S/C20H26N2O5S/c1-13(10-15-8-9-18(25-3)20(11-15)28(21,23)24)22-12-19-14(2)26-16-6-4-5-7-17(16)27-19/h4-9,11,13-14,19,22H,10,12H2,1-3H3,(H2,21,23,24)/t13-,14+,19-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	30.9	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Antagonist activity at Alpha-1B adrenoceptor in Wistar rat spleen assessed as phenylephrine induced contractions after 30 mins				Eur J Med Chem 45: 5800-7 (2010) Article DOI: 10.1016/j.ejmech.2010.09.042 BindingDB Entry DOI: 10.7270/Q2TX3GNT
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50403651 (CHEMBL29591) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccco1 Show InChI InChI=1S/C21H27N5O4S2/c1-25(20(27)16-6-5-9-30-16)7-10-31-32-11-8-26(2)21-23-15-13-18(29-4)17(28-3)12-14(15)19(22)24-21/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H2,22,23,24)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	32.4	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50026917 (8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...) Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	33.1	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonistic affinity tested against isolated Rat Spleen Alpha-1B adrenergic receptor				J Med Chem 45: 1633-43 (2002) Article DOI: 10.1021/jm011066n BindingDB Entry DOI: 10.7270/Q2542PSW
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408683 (CHEMBL341665) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CN(C)C)c1 Show InChI InChI=1S/C28H40N6O3/c1-32(2)19-20-12-11-13-21(16-20)27(35)33(3)14-9-7-8-10-15-34(4)28-30-23-18-25(37-6)24(36-5)17-22(23)26(29)31-28/h11-13,16-18H,7-10,14-15,19H2,1-6H3,(H2,29,30,31)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	37.1	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50410225 (CHEMBL178923) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CCCCC1CCSS1 Show InChI InChI=1S/C22H31N5O3S2/c1-29-18-13-16-17(14-19(18)30-2)24-22(25-21(16)23)27-10-8-26(9-11-27)20(28)6-4-3-5-15-7-12-31-32-15/h13-15H,3-12H2,1-2H3,(H2,23,24,25)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	40.7	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Blocking activity was assessed by antagonism of (-)-phenylephrine induced contraction of rat spleen (alpha1B adrenoceptor)				J Med Chem 48: 28-31 (2005) Article DOI: 10.1021/jm049153d BindingDB Entry DOI: 10.7270/Q20866HV
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408673 (CHEMBL145181) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccc(CCl)o1 Show InChI InChI=1S/C22H28ClN5O4S2/c1-27(21(29)17-6-5-14(13-23)32-17)7-9-33-34-10-8-28(2)22-25-16-12-19(31-4)18(30-3)11-15(16)20(24)26-22/h5-6,11-12H,7-10,13H2,1-4H3,(H2,24,25,26)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	42.7	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50409811 (CHEMBL1082862 | CHEMBL286003) Show SMILES COc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27NO4/c1-27-23-14-8-9-15-24(23)28-17-16-26-18-22-19-29-25(30-22,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,26H,16-19H2,1H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	43.6	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Antagonistic activity against (-)-phenylephrine-induced contraction of rat spleen (Alpha-1B adrenergic receptor )				J Med Chem 46: 1504-11 (2003) Article DOI: 10.1021/jm021078o BindingDB Entry DOI: 10.7270/Q2VQ33WN
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408667 (CHEMBL146601) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccc(CN(C)C)o1 Show InChI InChI=1S/C24H34N6O4S2/c1-28(2)15-16-7-8-19(34-16)23(31)29(3)9-11-35-36-12-10-30(4)24-26-18-14-21(33-6)20(32-5)13-17(18)22(25)27-24/h7-8,13-14H,9-12,15H2,1-6H3,(H2,25,26,27)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	53.7	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50408681 (CHEMBL145384) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CCl)c1 Show InChI InChI=1S/C26H34ClN5O3/c1-31(25(33)19-11-9-10-18(14-19)17-27)12-7-5-6-8-13-32(2)26-29-21-16-23(35-4)22(34-3)15-20(21)24(28)30-26/h9-11,14-16H,5-8,12-13,17H2,1-4H3,(H2,28,29,30)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	66.1	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				J Med Chem 41: 4844-53 (1998) Article DOI: 10.1021/jm9810654 BindingDB Entry DOI: 10.7270/Q22J6D3B
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50409691 (CHEMBL42558) Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 Show InChI InChI=1S/C25H29NO4/c1-27-23-13-8-14-24(28-2)25(23)30-18-16-26-15-17-29-22-12-7-6-11-21(22)19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	67.6	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonistic affinity tested against isolated Rat Spleen Alpha-1B adrenergic receptor				J Med Chem 45: 1633-43 (2002) Article DOI: 10.1021/jm011066n BindingDB Entry DOI: 10.7270/Q2542PSW
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50409688 (CHEMBL42231) Show SMILES COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1 Show InChI InChI=1S/C27H31NO3/c1-29-25-13-8-14-26(30-2)27(25)31-16-15-28-19-20-17-22-11-6-7-12-23(22)24(18-20)21-9-4-3-5-10-21/h3-14,20,24,28H,15-19H2,1-2H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonistic affinity tested against isolated Rat Spleen Alpha-1B adrenergic receptor				J Med Chem 45: 1633-43 (2002) Article DOI: 10.1021/jm011066n BindingDB Entry DOI: 10.7270/Q2542PSW
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50409692 (CHEMBL40325) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 Show InChI InChI=1S/C26H29NO3S/c1-28-23-12-8-13-24(29-2)26(23)30-16-15-27-18-20-17-22(19-9-4-3-5-10-19)21-11-6-7-14-25(21)31-20/h3-14,20,22,27H,15-18H2,1-2H3/t20-,22-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonistic affinity tested against isolated Rat Spleen Alpha-1B adrenergic receptor				J Med Chem 45: 1633-43 (2002) Article DOI: 10.1021/jm011066n BindingDB Entry DOI: 10.7270/Q2542PSW
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50409692 (CHEMBL40325) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 Show InChI InChI=1S/C26H29NO3S/c1-28-23-12-8-13-24(29-2)26(23)30-16-15-27-18-20-17-22(19-9-4-3-5-10-19)21-11-6-7-14-25(21)31-20/h3-14,20,22,27H,15-18H2,1-2H3/t20-,22-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonistic affinity tested against isolated Rat Spleen Alpha-1B adrenergic receptor				J Med Chem 45: 1633-43 (2002) Article DOI: 10.1021/jm011066n BindingDB Entry DOI: 10.7270/Q2542PSW
					More data for this Ligand-Target Pair

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