Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50005855   

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-2 angiotensin II receptor (RAT)	BDBM50041700 (2-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nc2ccn(CC(=O)N(c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C38H34N8O2/c1-2-3-18-34-39-33-23-24-44(26-35(47)46(29-12-6-4-7-13-29)30-14-8-5-9-15-30)38(48)36(33)45(34)25-27-19-21-28(22-20-27)31-16-10-11-17-32(31)37-40-42-43-41-37/h4-17,19-24H,2-3,18,25-26H2,1H3,(H,40,41,42,43)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Curated by ChEMBL					Assay Description Binding affinity against angiotensin II receptor type 2 (AT2) of rat adrenal medulla.				J Med Chem 37: 1632-45 (1994) BindingDB Entry DOI: 10.7270/Q2RR1X9M
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50041701 (2-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nc2ccn(CC(N)=O)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C26H26N8O2/c1-2-3-8-23-28-21-13-14-33(16-22(27)35)26(36)24(21)34(23)15-17-9-11-18(12-10-17)19-6-4-5-7-20(19)25-29-31-32-30-25/h4-7,9-14H,2-3,8,15-16H2,1H3,(H2,27,35)(H,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Curated by ChEMBL					Assay Description Binding affinity against AT1 receptor in the presence of 0.01% BSA				J Med Chem 37: 1632-45 (1994) BindingDB Entry DOI: 10.7270/Q2RR1X9M
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50041688 (CHEMBL43500 | {2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-...) Show SMILES CCCCc1nc2ccn(CC(=O)OC)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C27H27N7O3/c1-3-4-9-23-28-22-14-15-33(17-24(35)37-2)27(36)25(22)34(23)16-18-10-12-19(13-11-18)20-7-5-6-8-21(20)26-29-31-32-30-26/h5-8,10-15H,3-4,9,16-17H2,1-2H3,(H,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Curated by ChEMBL					Assay Description Binding affinity against AT1 receptor of rat adrenal cortical membranes				J Med Chem 37: 1632-45 (1994) BindingDB Entry DOI: 10.7270/Q2RR1X9M
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50406795 (Cozaar | LOSARTAN POTASSIUM) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1 Show InChI InChI=1S/C22H22ClN6O/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/h4-7,9-12,30H,2-3,8,13-14H2,1H3/q-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Curated by ChEMBL					Assay Description Binding affinity against AT1 receptor in the presence of 0.01% BSA				J Med Chem 37: 1632-45 (1994) BindingDB Entry DOI: 10.7270/Q2RR1X9M
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50041689 (5-Benzyl-2-butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nc2ccn(Cc3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C31H29N7O/c1-2-3-13-28-32-27-18-19-37(20-22-9-5-4-6-10-22)31(39)29(27)38(28)21-23-14-16-24(17-15-23)25-11-7-8-12-26(25)30-33-35-36-34-30/h4-12,14-19H,2-3,13,20-21H2,1H3,(H,33,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Curated by ChEMBL					Assay Description Binding affinity against AT1 receptor of rat adrenal cortical membranes				J Med Chem 37: 1632-45 (1994) BindingDB Entry DOI: 10.7270/Q2RR1X9M
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50041683 (2-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nc2ccn(Cc3ccccc3C(O)=O)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C32H29N7O3/c1-2-3-12-28-33-27-17-18-38(20-23-8-4-5-10-25(23)32(41)42)31(40)29(27)39(28)19-21-13-15-22(16-14-21)24-9-6-7-11-26(24)30-34-36-37-35-30/h4-11,13-18H,2-3,12,19-20H2,1H3,(H,41,42)(H,34,35,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Curated by ChEMBL					Assay Description Binding affinity against AT1 receptor in the presence of 0.01% BSA				J Med Chem 37: 1632-45 (1994) BindingDB Entry DOI: 10.7270/Q2RR1X9M
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50041676 (2-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nc2ccn(Cc3ccccc3C(=O)OCC)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C34H33N7O3/c1-3-5-14-30-35-29-19-20-40(22-25-10-6-7-12-27(25)34(43)44-4-2)33(42)31(29)41(30)21-23-15-17-24(18-16-23)26-11-8-9-13-28(26)32-36-38-39-37-32/h6-13,15-20H,3-5,14,21-22H2,1-2H3,(H,36,37,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Curated by ChEMBL					Assay Description Binding affinity against AT1 receptor in the presence of 0.01% BSA				J Med Chem 37: 1632-45 (1994) BindingDB Entry DOI: 10.7270/Q2RR1X9M
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50006909 (2-Butyl-5-chloro-3-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Curated by ChEMBL					Assay Description Binding affinity against AT1 receptor of rat adrenal cortical membranes				J Med Chem 37: 1632-45 (1994) BindingDB Entry DOI: 10.7270/Q2RR1X9M
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50041702 (4'-(2-Butyl-4-oxo-4,5-dihydro-imidazo[4,5-c]pyridi...) Show SMILES CCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C24H23N3O3/c1-2-3-8-21-26-20-13-14-25-23(28)22(20)27(21)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)24(29)30/h4-7,9-14H,2-3,8,15H2,1H3,(H,25,28)(H,29,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Curated by ChEMBL					Assay Description Inhibition of Angiotensin II induced contractions in rabbit aortic rings				J Med Chem 37: 1632-45 (1994) BindingDB Entry DOI: 10.7270/Q2RR1X9M
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50041696 (CHEMBL42631 | {2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-...) Show SMILES CCCCc1nc2ccn(CC(O)=O)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C26H25N7O3/c1-2-3-8-22-27-21-13-14-32(16-23(34)35)26(36)24(21)33(22)15-17-9-11-18(12-10-17)19-6-4-5-7-20(19)25-28-30-31-29-25/h4-7,9-14H,2-3,8,15-16H2,1H3,(H,34,35)(H,28,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Curated by ChEMBL					Assay Description Binding affinity against AT1 receptor of rat adrenal cortical membranes				J Med Chem 37: 1632-45 (1994) BindingDB Entry DOI: 10.7270/Q2RR1X9M
					More data for this Ligand-Target Pair