Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Alpha-1B adrenergic receptor' and Ligand = 'BDBM50063906'   

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-1B adrenergic receptor (Homo sapiens (Human))	BDBM50063906 ((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-1-(f...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)c1ccco1 Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)28-21(31)16-13-29(8-9-30(16)22(32)17-7-6-10-35-17)23-26-15-12-19(34-5)18(33-4)11-14(15)20(25)27-23/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,28,31)(H2,25,26,27)/t16-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Compound was tested for binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1B adrenergi...				J Med Chem 41: 1205-8 (1998) Article DOI: 10.1021/jm980053f BindingDB Entry DOI: 10.7270/Q2XG9Q72
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM50063906 ((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-1-(f...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)c1ccco1 Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)28-21(31)16-13-29(8-9-30(16)22(32)17-7-6-10-35-17)23-26-15-12-19(34-5)18(33-4)11-14(15)20(25)27-23/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,28,31)(H2,25,26,27)/t16-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1B adrenergic receptor				J Med Chem 41: 1205-8 (1998) Article DOI: 10.1021/jm980053f BindingDB Entry DOI: 10.7270/Q2XG9Q72
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50063906 ((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-1-(f...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)c1ccco1 Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)28-21(31)16-13-29(8-9-30(16)22(32)17-7-6-10-35-17)23-26-15-12-19(34-5)18(33-4)11-14(15)20(25)27-23/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,28,31)(H2,25,26,27)/t16-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Compound was tested for the tissue binding affinity using [125I]- HEAT as radioligand to the human aorta Alpha-1B adrenergic receptor subtype				J Med Chem 41: 1205-8 (1998) Article DOI: 10.1021/jm980053f BindingDB Entry DOI: 10.7270/Q2XG9Q72
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50063906 ((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-1-(f...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)c1ccco1 Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)28-21(31)16-13-29(8-9-30(16)22(32)17-7-6-10-35-17)23-26-15-12-19(34-5)18(33-4)11-14(15)20(25)27-23/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,28,31)(H2,25,26,27)/t16-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Compound was tested for the tissue binding affinity using [125I]- HEAT as radioligand to the human aorta Alpha-1B adrenergic receptor subtype				J Med Chem 41: 1205-8 (1998) Article DOI: 10.1021/jm980053f BindingDB Entry DOI: 10.7270/Q2XG9Q72
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM50063906 ((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-1-(f...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)c1ccco1 Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)28-21(31)16-13-29(8-9-30(16)22(32)17-7-6-10-35-17)23-26-15-12-19(34-5)18(33-4)11-14(15)20(25)27-23/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,28,31)(H2,25,26,27)/t16-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Compound was tested for the tissue binding affinity using [3H]- Prazosin as radioligand to the rat spleen Alpha-1B adrenergic receptor subtype				J Med Chem 41: 1205-8 (1998) Article DOI: 10.1021/jm980053f BindingDB Entry DOI: 10.7270/Q2XG9Q72
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM50063906 ((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-1-(f...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)c1ccco1 Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)28-21(31)16-13-29(8-9-30(16)22(32)17-7-6-10-35-17)23-26-15-12-19(34-5)18(33-4)11-14(15)20(25)27-23/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,28,31)(H2,25,26,27)/t16-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Compound was tested for the tissue binding affinity using [3H]- Prazosin as radioligand to the rat liver Alpha-1B adrenergic receptor				J Med Chem 41: 1205-8 (1998) Article DOI: 10.1021/jm980053f BindingDB Entry DOI: 10.7270/Q2XG9Q72
					More data for this Ligand-Target Pair