Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Alpha-1B adrenergic receptor' and Ligand = 'BDBM50063907'   

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))	BDBM50063907 ((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-2-te...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2	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 its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1B adren...				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))	BDBM50063907 ((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-2-te...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5.40	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))	BDBM50063907 ((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-2-te...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80	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))	BDBM50063907 ((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-2-te...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	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
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM50063907 ((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-2-te...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	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 (Homo sapiens (Human))	BDBM50063907 ((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-2-te...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	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				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