Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50029106   

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
Type-1 angiotensin II receptor (Bos taurus)	BDBM50281520 (CHEMBL123348 | [3-Ethyl-3-methyl-5-oxo-1-[2'-(1H-t...) Show SMILES CCOC(=O)\C=C1/N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC1(C)CC Show InChI InChI=1S/C25H27N5O3/c1-4-25(3)15-22(31)30(21(25)14-23(32)33-5-2)16-17-10-12-18(13-11-17)19-8-6-7-9-20(19)24-26-28-29-27-24/h6-14H,4-5,15-16H2,1-3H3,(H,26,27,28,29)/b21-14-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration that gives 50% inhibition for binding of 125-I-[Sar1, IIe8] angiotensin to Angiotensin II receptor, type 1 in bovine adrenal cortex mem...				Bioorg Med Chem Lett 3: 369-374 (1993) Article DOI: 10.1016/S0960-894X(01)80914-8 BindingDB Entry DOI: 10.7270/Q20G3K2H
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50281522 (CHEMBL121871 | [3-Oxo-2-[2'-(1H-tetrazol-5-yl)-bip...) Show SMILES CCOC(=O)\C=C1/N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC11CCCCCC1 Show InChI InChI=1S/C28H31N5O3/c1-2-36-26(35)17-24-28(15-7-3-4-8-16-28)18-25(34)33(24)19-20-11-13-21(14-12-20)22-9-5-6-10-23(22)27-29-31-32-30-27/h5-6,9-14,17H,2-4,7-8,15-16,18-19H2,1H3,(H,29,30,31,32)/b24-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration that gives 50% inhibition for binding of 125-I-[Sar1, IIe8] angiotensin to Angiotensin II receptor, type 1 in bovine adrenal cortex mem...				Bioorg Med Chem Lett 3: 369-374 (1993) Article DOI: 10.1016/S0960-894X(01)80914-8 BindingDB Entry DOI: 10.7270/Q20G3K2H
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50281524 (CHEMBL123713 | [3,3-Diethyl-5-oxo-1-[2'-(1H-tetraz...) Show SMILES CCOC(=O)\C=C1/N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC1(CC)CC Show InChI InChI=1S/C26H29N5O3/c1-4-26(5-2)16-23(32)31(22(26)15-24(33)34-6-3)17-18-11-13-19(14-12-18)20-9-7-8-10-21(20)25-27-29-30-28-25/h7-15H,4-6,16-17H2,1-3H3,(H,27,28,29,30)/b22-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration that gives 50% inhibition for binding of 125-I-[Sar1, IIe8] angiotensin to Angiotensin II receptor, type 1 in bovine adrenal cortex mem...				Bioorg Med Chem Lett 3: 369-374 (1993) Article DOI: 10.1016/S0960-894X(01)80914-8 BindingDB Entry DOI: 10.7270/Q20G3K2H
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50281519 (CHEMBL124449 | [3-Oxo-2-[2'-(1H-tetrazol-5-yl)-bip...) Show SMILES CCOC(=O)\C=C1/N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC11CCCCC1 Show InChI InChI=1S/C27H29N5O3/c1-2-35-25(34)16-23-27(14-6-3-7-15-27)17-24(33)32(23)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)26-28-30-31-29-26/h4-5,8-13,16H,2-3,6-7,14-15,17-18H2,1H3,(H,28,29,30,31)/b23-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration that gives 50% inhibition for binding of 125-I-[Sar1, IIe8] angiotensin to Angiotensin II receptor, type 1 in bovine adrenal cortex mem...				Bioorg Med Chem Lett 3: 369-374 (1993) Article DOI: 10.1016/S0960-894X(01)80914-8 BindingDB Entry DOI: 10.7270/Q20G3K2H
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50281523 (CHEMBL421094 | [3-Oxo-2-[2'-(1H-tetrazol-5-yl)-bip...) Show SMILES CCOC(=O)\C=C1/N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC11CCCC1 Show InChI InChI=1S/C26H27N5O3/c1-2-34-24(33)15-22-26(13-5-6-14-26)16-23(32)31(22)17-18-9-11-19(12-10-18)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-4,7-12,15H,2,5-6,13-14,16-17H2,1H3,(H,27,28,29,30)/b22-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration that gives 50% inhibition for binding of 125-I-[Sar1, IIe8] angiotensin to Angiotensin II receptor, type 1 in bovine adrenal cortex mem...				Bioorg Med Chem Lett 3: 369-374 (1993) Article DOI: 10.1016/S0960-894X(01)80914-8 BindingDB Entry DOI: 10.7270/Q20G3K2H
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50009714 (CHEMBL191 | {2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5...) Show SMILES CCCCC1=NC(Cl)C(CO)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C22H25ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,19,21,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	425	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration that gives 50% inhibition for binding of 125-I-[Sar1, IIe8] angiotensin to Angiotensin II receptor, type 1 in bovine adrenal cortex mem...				Bioorg Med Chem Lett 3: 369-374 (1993) Article DOI: 10.1016/S0960-894X(01)80914-8 BindingDB Entry DOI: 10.7270/Q20G3K2H
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50281521 (CHEMBL330866 | [3-Methyl-5-oxo-1-[2'-(1H-tetrazol-...) Show SMILES CCOC(=O)\C=C1\C(C)CC(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H23N5O3/c1-3-31-22(30)13-20-15(2)12-21(29)28(20)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)23-24-26-27-25-23/h4-11,13,15H,3,12,14H2,1-2H3,(H,24,25,26,27)/b20-13-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration that gives 50% inhibition for binding of 125-I-[Sar1, IIe8] angiotensin to Angiotensin II receptor, type 1 in bovine adrenal cortex mem...				Bioorg Med Chem Lett 3: 369-374 (1993) Article DOI: 10.1016/S0960-894X(01)80914-8 BindingDB Entry DOI: 10.7270/Q20G3K2H
					More data for this Ligand-Target Pair