Compile Data Set for Download or QSAR

Found 89 hits Enz. Inhib. hit(s) with all data for entry = 50006848   

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 (Homo sapiens (Human))	BDBM50503902 (CHEMBL4588688) Show SMILES CCOc1nc(CC)c(CNC(=O)[C@@H](CS)CC(C)C)n1Cc1ccc(cc1F)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C29H36FN3O4S/c1-5-25-26(15-31-27(34)21(17-38)13-18(3)4)33(29(32-25)37-6-2)16-20-12-11-19(14-24(20)30)22-9-7-8-10-23(22)28(35)36/h7-12,14,18,21,38H,5-6,13,15-17H2,1-4H3,(H,31,34)(H,35,36)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503896 (CHEMBL4445778) Show SMILES CCOc1nc(CC)c(CNC(=O)[C@@H](CS)CC(C)C)n1Cc1ccc(c(F)c1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C29H36FN3O4S/c1-5-25-26(15-31-27(34)20(17-38)13-18(3)4)33(29(32-25)37-6-2)16-19-11-12-22(24(30)14-19)21-9-7-8-10-23(21)28(35)36/h7-12,14,18,20,38H,5-6,13,15-17H2,1-4H3,(H,31,34)(H,35,36)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503875 (CHEMBL4435800) Show SMILES CCOc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1F)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C28H34FN3O4S/c1-5-23-24(15-30-26(33)25(37)13-17(3)4)32(28(31-23)36-6-2)16-19-12-11-18(14-22(19)29)20-9-7-8-10-21(20)27(34)35/h7-12,14,17,25,37H,5-6,13,15-16H2,1-4H3,(H,30,33)(H,34,35)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503894 (CHEMBL4591218) Show SMILES CCOc1nc(CC)c(CNC(=O)[C@@H](CS)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C29H37N3O4S/c1-5-25-26(16-30-27(33)22(18-37)15-19(3)4)32(29(31-25)36-6-2)17-20-11-13-21(14-12-20)23-9-7-8-10-24(23)28(34)35/h7-14,19,22,37H,5-6,15-18H2,1-4H3,(H,30,33)(H,34,35)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503885 (CHEMBL4438878) Show SMILES CCCOc1nc(CC)c(CNC(=O)[C@@H](CS)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C30H39N3O4S/c1-5-15-37-30-32-26(6-2)27(17-31-28(34)23(19-38)16-20(3)4)33(30)18-21-11-13-22(14-12-21)24-9-7-8-10-25(24)29(35)36/h7-14,20,23,38H,5-6,15-19H2,1-4H3,(H,31,34)(H,35,36)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503897 (CHEMBL4474870) Show SMILES CCOc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(c(F)c1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C28H34FN3O4S/c1-5-23-24(15-30-26(33)25(37)13-17(3)4)32(28(31-23)36-6-2)16-18-11-12-20(22(29)14-18)19-9-7-8-10-21(19)27(34)35/h7-12,14,17,25,37H,5-6,13,15-16H2,1-4H3,(H,30,33)(H,34,35)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503893 (CHEMBL4454778) Show SMILES CCCCc1nc(CC)c(CNC(=O)[C@@H](CS)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C31H41N3O3S/c1-5-7-12-29-33-27(6-2)28(18-32-30(35)24(20-38)17-21(3)4)34(29)19-22-13-15-23(16-14-22)25-10-8-9-11-26(25)31(36)37/h8-11,13-16,21,24,38H,5-7,12,17-20H2,1-4H3,(H,32,35)(H,36,37)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM82258 (CAS_114798-26-4 | Losartan | NSC_3961) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/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,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503887 (CHEMBL4543532) Show SMILES CCOc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1cc(F)c(cc1F)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C28H33F2N3O4S/c1-5-23-24(14-31-26(34)25(38)11-16(3)4)33(28(32-23)37-6-2)15-17-12-22(30)20(13-21(17)29)18-9-7-8-10-19(18)27(35)36/h7-10,12-13,16,25,38H,5-6,11,14-15H2,1-4H3,(H,31,34)(H,35,36)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503895 (CHEMBL4465325) Show SMILES CCOc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C28H35N3O4S/c1-5-23-24(16-29-26(32)25(36)15-18(3)4)31(28(30-23)35-6-2)17-19-11-13-20(14-12-19)21-9-7-8-10-22(21)27(33)34/h7-14,18,25,36H,5-6,15-17H2,1-4H3,(H,29,32)(H,33,34)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503900 (CHEMBL4456544) Show SMILES CCCCc1nc(C2CC2)c(CNC(=O)[C@@H](CS)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H41N3O3S/c1-4-5-10-29-34-30(24-15-16-24)28(18-33-31(36)25(20-39)17-21(2)3)35(29)19-22-11-13-23(14-12-22)26-8-6-7-9-27(26)32(37)38/h6-9,11-14,21,24-25,39H,4-5,10,15-20H2,1-3H3,(H,33,36)(H,37,38)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503903 (CHEMBL4437331) Show SMILES CCCCc1nc(CC(C)C)c(CNC(=O)[C@@H](CS)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C33H45N3O3S/c1-6-7-12-31-35-29(18-23(4)5)30(19-34-32(37)26(21-40)17-22(2)3)36(31)20-24-13-15-25(16-14-24)27-10-8-9-11-28(27)33(38)39/h8-11,13-16,22-23,26,40H,6-7,12,17-21H2,1-5H3,(H,34,37)(H,38,39)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503904 (CHEMBL4440944) Show SMILES CCCCc1nc(Cl)c(CNC(=O)CNC(=O)C(CS)Cc2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C34H37ClN8O2S/c1-2-3-13-30-38-32(35)29(19-36-31(44)20-37-34(45)26(22-46)18-23-9-5-4-6-10-23)43(30)21-24-14-16-25(17-15-24)27-11-7-8-12-28(27)33-39-41-42-40-33/h4-12,14-17,26,46H,2-3,13,18-22H2,1H3,(H,36,44)(H,37,45)(H,39,40,41,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503888 (CHEMBL4470834) Show SMILES CCCCc1nc(Cl)c(CNC(=O)C(CS)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C29H36ClN7OS/c1-4-5-10-26-32-27(30)25(16-31-29(38)22(18-39)15-19(2)3)37(26)17-20-11-13-21(14-12-20)23-8-6-7-9-24(23)28-33-35-36-34-28/h6-9,11-14,19,22,39H,4-5,10,15-18H2,1-3H3,(H,31,38)(H,33,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503898 (CHEMBL4558883) Show SMILES CCCCc1nc(Cl)c(CNC(=O)C(CS)Cc2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C32H34ClN7OS/c1-2-3-13-29-35-30(33)28(19-34-32(41)25(21-42)18-22-9-5-4-6-10-22)40(29)20-23-14-16-24(17-15-23)26-11-7-8-12-27(26)31-36-38-39-37-31/h4-12,14-17,25,42H,2-3,13,18-21H2,1H3,(H,34,41)(H,36,37,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503889 (CHEMBL4464191) Show SMILES CCCCc1nc(Cl)c(CNC(=O)[C@@H](CS)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C29H36ClN3O3S/c1-4-5-10-26-32-27(30)25(16-31-28(34)22(18-37)15-19(2)3)33(26)17-20-11-13-21(14-12-20)23-8-6-7-9-24(23)29(35)36/h6-9,11-14,19,22,37H,4-5,10,15-18H2,1-3H3,(H,31,34)(H,35,36)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503886 (CHEMBL4456519) Show SMILES CCCOc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C29H37N3O4S/c1-5-15-36-29-31-24(6-2)25(17-30-27(33)26(37)16-19(3)4)32(29)18-20-11-13-21(14-12-20)22-9-7-8-10-23(22)28(34)35/h7-14,19,26,37H,5-6,15-18H2,1-4H3,(H,30,33)(H,34,35)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503901 (CHEMBL4458466) Show SMILES CCCCc1nc(CC(C)C)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H43N3O3S/c1-6-7-12-30-34-27(17-21(2)3)28(19-33-31(36)29(39)18-22(4)5)35(30)20-23-13-15-24(16-14-23)25-10-8-9-11-26(25)32(37)38/h8-11,13-16,21-22,29,39H,6-7,12,17-20H2,1-5H3,(H,33,36)(H,37,38)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503884 (CHEMBL4547120) Show SMILES CCCCc1nc(C2CC2)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C31H39N3O3S/c1-4-5-10-28-33-29(23-15-16-23)26(18-32-30(35)27(38)17-20(2)3)34(28)19-21-11-13-22(14-12-21)24-8-6-7-9-25(24)31(36)37/h6-9,11-14,20,23,27,38H,4-5,10,15-19H2,1-3H3,(H,32,35)(H,36,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503872 (CHEMBL4459070) Show SMILES CCCCc1nc(Cl)c(CNC(=O)C(CS)CC2CC2)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C29H34ClN3O3S/c1-2-3-8-26-32-27(30)25(16-31-28(34)22(18-37)15-19-9-10-19)33(26)17-20-11-13-21(14-12-20)23-6-4-5-7-24(23)29(35)36/h4-7,11-14,19,22,37H,2-3,8-10,15-18H2,1H3,(H,31,34)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503877 (CHEMBL4535903) Show SMILES CCCCc1nc(Cl)c(CNC(=O)C(CS)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C29H36ClN3O3S/c1-4-5-10-26-32-27(30)25(16-31-28(34)22(18-37)15-19(2)3)33(26)17-20-11-13-21(14-12-20)23-8-6-7-9-24(23)29(35)36/h6-9,11-14,19,22,37H,4-5,10,15-18H2,1-3H3,(H,31,34)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503873 (CHEMBL4447138) Show SMILES CCCCc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C30H39N3O3S/c1-5-7-12-28-32-25(6-2)26(18-31-29(34)27(37)17-20(3)4)33(28)19-21-13-15-22(16-14-21)23-10-8-9-11-24(23)30(35)36/h8-11,13-16,20,27,37H,5-7,12,17-19H2,1-4H3,(H,31,34)(H,35,36)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503906 (CHEMBL4463575) Show SMILES CCCCc1nc(Cl)c(CNC(=O)C(CS)CC(CC)CC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C31H40ClN3O3S/c1-4-7-12-28-34-29(32)27(18-33-30(36)24(20-39)17-21(5-2)6-3)35(28)19-22-13-15-23(16-14-22)25-10-8-9-11-26(25)31(37)38/h8-11,13-16,21,24,39H,4-7,12,17-20H2,1-3H3,(H,33,36)(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503880 (CHEMBL4552884) Show SMILES CCCCc1nc(Cl)c(CNC(=O)C(CS)CC2CCCC2)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C31H38ClN3O3S/c1-2-3-12-28-34-29(32)27(18-33-30(36)24(20-39)17-21-8-4-5-9-21)35(28)19-22-13-15-23(16-14-22)25-10-6-7-11-26(25)31(37)38/h6-7,10-11,13-16,21,24,39H,2-5,8-9,12,17-20H2,1H3,(H,33,36)(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503882 (CHEMBL4535256) Show SMILES CCCCc1nc(C)c(CNC(=O)[C@@H](CS)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C30H39N3O3S/c1-5-6-11-28-32-21(4)27(17-31-29(34)24(19-37)16-20(2)3)33(28)18-22-12-14-23(15-13-22)25-9-7-8-10-26(25)30(35)36/h7-10,12-15,20,24,37H,5-6,11,16-19H2,1-4H3,(H,31,34)(H,35,36)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503881 (CHEMBL4469350) Show SMILES CCCCc1nc(Cl)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C28H34ClN3O3S/c1-4-5-10-25-31-26(29)23(16-30-27(33)24(36)15-18(2)3)32(25)17-19-11-13-20(14-12-19)21-8-6-7-9-22(21)28(34)35/h6-9,11-14,18,24,36H,4-5,10,15-17H2,1-3H3,(H,30,33)(H,34,35)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503876 (CHEMBL4579452) Show SMILES CCCCc1nc(Cl)c(CNC(=O)C(CS)Cc2ccccc2)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C32H34ClN3O3S/c1-2-3-13-29-35-30(33)28(19-34-31(37)25(21-40)18-22-9-5-4-6-10-22)36(29)20-23-14-16-24(17-15-23)26-11-7-8-12-27(26)32(38)39/h4-12,14-17,25,40H,2-3,13,18-21H2,1H3,(H,34,37)(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503892 (CHEMBL4438435) Show SMILES CCCCc1nc(Cl)c(CNC(=O)C(CS)C(C)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C33H36ClN3O3S/c1-3-4-14-30-36-31(34)29(19-35-32(38)28(21-41)22(2)24-10-6-5-7-11-24)37(30)20-23-15-17-25(18-16-23)26-12-8-9-13-27(26)33(39)40/h5-13,15-18,22,28,41H,3-4,14,19-21H2,1-2H3,(H,35,38)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503878 (CHEMBL4463203) Show SMILES CCCCc1nc(Cl)c(CNC(=O)[C@H](CS)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C29H36ClN3O3S/c1-4-5-10-26-32-27(30)25(16-31-28(34)22(18-37)15-19(2)3)33(26)17-20-11-13-21(14-12-20)23-8-6-7-9-24(23)29(35)36/h6-9,11-14,19,22,37H,4-5,10,15-18H2,1-3H3,(H,31,34)(H,35,36)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503907 (CHEMBL4449166) Show SMILES CCCCc1nc(Cl)c(CNC(=O)[C@H](S)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C28H34ClN3O3S/c1-4-5-10-25-31-26(29)23(16-30-27(33)24(36)15-18(2)3)32(25)17-19-11-13-20(14-12-19)21-8-6-7-9-22(21)28(34)35/h6-9,11-14,18,24,36H,4-5,10,15-17H2,1-3H3,(H,30,33)(H,34,35)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503908 (CHEMBL4453362) Show SMILES CCCCc1nc(Cl)c(CNC(=O)C(CS)C(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C28H34ClN3O3S/c1-4-5-10-25-31-26(29)24(15-30-27(33)23(17-36)18(2)3)32(25)16-19-11-13-20(14-12-19)21-8-6-7-9-22(21)28(34)35/h6-9,11-14,18,23,36H,4-5,10,15-17H2,1-3H3,(H,30,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503905 (CHEMBL4568554) Show SMILES CCCCc1nc(Cl)c(CNC(=O)C(CS)CCC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C30H38ClN3O3S/c1-4-5-10-27-33-28(31)26(17-32-29(35)23(19-38)14-11-20(2)3)34(27)18-21-12-15-22(16-13-21)24-8-6-7-9-25(24)30(36)37/h6-9,12-13,15-16,20,23,38H,4-5,10-11,14,17-19H2,1-3H3,(H,32,35)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503890 (CHEMBL4515703) Show SMILES CCCCC(CS)C(=O)NCc1c(Cl)nc(CCCC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C29H36ClN3O3S/c1-3-5-9-22(19-37)28(34)31-17-25-27(30)32-26(12-6-4-2)33(25)18-20-13-15-21(16-14-20)23-10-7-8-11-24(23)29(35)36/h7-8,10-11,13-16,22,37H,3-6,9,12,17-19H2,1-2H3,(H,31,34)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503899 (CHEMBL4471668) Show SMILES CCCCc1nc(Cl)c(CNC(=O)C(CS)Cc2ccc3ccccc3c2)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C36H36ClN3O3S/c1-2-3-12-33-39-34(37)32(21-38-35(41)29(23-44)20-25-15-16-26-8-4-5-9-28(26)19-25)40(33)22-24-13-17-27(18-14-24)30-10-6-7-11-31(30)36(42)43/h4-11,13-19,29,44H,2-3,12,20-23H2,1H3,(H,38,41)(H,42,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503883 (CHEMBL4443691) Show SMILES CCCCc1nc(C)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C29H37N3O3S/c1-5-6-11-27-31-20(4)25(17-30-28(33)26(36)16-19(2)3)32(27)18-21-12-14-22(15-13-21)23-9-7-8-10-24(23)29(34)35/h7-10,12-15,19,26,36H,5-6,11,16-18H2,1-4H3,(H,30,33)(H,34,35)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503909 (CHEMBL4472489) Show SMILES CCCCc1nc(Cl)c(CNC(=O)C(CS)CC2CCCCC2)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C32H40ClN3O3S/c1-2-3-13-29-35-30(33)28(19-34-31(37)25(21-40)18-22-9-5-4-6-10-22)36(29)20-23-14-16-24(17-15-23)26-11-7-8-12-27(26)32(38)39/h7-8,11-12,14-17,22,25,40H,2-6,9-10,13,18-21H2,1H3,(H,34,37)(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503891 (CHEMBL4451425) Show SMILES CCCCc1nc(Cl)c(CNC(=O)C(CS)Cc2ccc(cc2)-c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C38H38ClN3O3S/c1-2-3-13-35-41-36(39)34(42(35)24-27-16-20-30(21-17-27)32-11-7-8-12-33(32)38(44)45)23-40-37(43)31(25-46)22-26-14-18-29(19-15-26)28-9-5-4-6-10-28/h4-12,14-21,31,46H,2-3,13,22-25H2,1H3,(H,40,43)(H,44,45)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503874 (CHEMBL4534876) Show SMILES CCCCc1nc(Cl)c(CNC(=O)C(CS)Cc2cccc3ccccc23)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C36H36ClN3O3S/c1-2-3-15-33-39-34(37)32(21-38-35(41)28(23-44)20-27-11-8-10-25-9-4-5-12-29(25)27)40(33)22-24-16-18-26(19-17-24)30-13-6-7-14-31(30)36(42)43/h4-14,16-19,28,44H,2-3,15,20-23H2,1H3,(H,38,41)(H,42,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503879 (CHEMBL4458683) Show SMILES CCCCc1nc(Cl)c(CNC(=O)C(CS)C(C)CC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C29H36ClN3O3S/c1-4-6-11-26-32-27(30)25(16-31-28(34)24(18-37)19(3)5-2)33(26)17-20-12-14-21(15-13-20)22-9-7-8-10-23(22)29(35)36/h7-10,12-15,19,24,37H,4-6,11,16-18H2,1-3H3,(H,31,34)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50503875 (CHEMBL4435800) Show SMILES CCOc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1F)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C28H34FN3O4S/c1-5-23-24(15-30-26(33)25(37)13-17(3)4)32(28(31-23)36-6-2)16-19-12-11-18(14-22(19)29)20-9-7-8-10-21(20)27(34)35/h7-12,14,17,25,37H,5-6,13,15-16H2,1-4H3,(H,30,33)(H,34,35)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT2 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50049186 ((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...) Show SMILES CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT2 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50073120 ((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...) Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 |r| Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM21641 (2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...) Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1 Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50073120 ((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...) Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 |r| Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human ACE using Mca-BK2 as substrate preincubated for 10 mins followed by fluorogenic substrate addition and measured after...				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neprilysin (Homo sapiens (Human))	BDBM50073120 ((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...) Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 |r| Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Inhibition of NEP (unknown origin) preincubated for 10 mins followed by fluorogenic substrate addition and measured after 20 mins by fluorescence ass...				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neprilysin (Homo sapiens (Human))	BDBM50503875 (CHEMBL4435800) Show SMILES CCOc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1F)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C28H34FN3O4S/c1-5-23-24(15-30-26(33)25(37)13-17(3)4)32(28(31-23)36-6-2)16-19-12-11-18(14-22(19)29)20-9-7-8-10-21(20)27(34)35/h7-12,14,17,25,37H,5-6,13,15-16H2,1-4H3,(H,30,33)(H,34,35)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Inhibition of NEP (unknown origin) preincubated for 10 mins followed by fluorogenic substrate addition and measured after 20 mins by fluorescence ass...				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50503883 (CHEMBL4443691) Show SMILES CCCCc1nc(C)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C29H37N3O3S/c1-5-6-11-27-31-20(4)25(17-30-28(33)26(36)16-19(2)3)32(27)18-21-12-14-22(15-13-21)23-9-7-8-10-24(23)29(34)35/h7-10,12-15,19,26,36H,5-6,11,16-18H2,1-4H3,(H,30,33)(H,34,35)/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Inhibition of NEP (unknown origin) preincubated for 10 mins followed by fluorogenic substrate addition and measured after 20 mins by fluorescence ass...				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50503884 (CHEMBL4547120) Show SMILES CCCCc1nc(C2CC2)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C31H39N3O3S/c1-4-5-10-28-33-29(23-15-16-23)26(18-32-30(35)27(38)17-20(2)3)34(28)19-21-11-13-22(14-12-21)24-8-6-7-9-25(24)31(36)37/h6-9,11-14,20,23,27,38H,4-5,10,15-19H2,1-3H3,(H,32,35)(H,36,37)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Inhibition of NEP (unknown origin) preincubated for 10 mins followed by fluorogenic substrate addition and measured after 20 mins by fluorescence ass...				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50503886 (CHEMBL4456519) Show SMILES CCCOc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C29H37N3O4S/c1-5-15-36-29-31-24(6-2)25(17-30-27(33)26(37)16-19(3)4)32(29)18-20-11-13-21(14-12-20)22-9-7-8-10-23(22)28(34)35/h7-14,19,26,37H,5-6,15-18H2,1-4H3,(H,30,33)(H,34,35)/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Inhibition of NEP (unknown origin) preincubated for 10 mins followed by fluorogenic substrate addition and measured after 20 mins by fluorescence ass...				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50503895 (CHEMBL4465325) Show SMILES CCOc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C28H35N3O4S/c1-5-23-24(16-29-26(32)25(36)15-18(3)4)31(28(30-23)35-6-2)17-19-11-13-20(14-12-19)21-9-7-8-10-22(21)27(33)34/h7-14,18,25,36H,5-6,15-17H2,1-4H3,(H,29,32)(H,33,34)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Inhibition of NEP (unknown origin) preincubated for 10 mins followed by fluorogenic substrate addition and measured after 20 mins by fluorescence ass...				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 89 total )  |  Next  |  Last  >>

Jump to: