Compile Data Set for Download or QSAR

Found 1055 hits with Last Name = 'mcconn' and Initial = 'd'   

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))	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))	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))	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))	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))	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))	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))	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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50173960 ((2S,4S)-1-((R)-2-amino-3-methyl-3-(pyridin-2-ylmet...) Show SMILES CC(C)(SCc1ccccn1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N Show InChI InChI=1S/C16H21FN4OS/c1-16(2,23-10-12-5-3-4-6-20-12)14(19)15(22)21-9-11(17)7-13(21)8-18/h3-6,11,13-14H,7,9-10,19H2,1-2H3/t11-,13-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human DPP4				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50173976 ((2S,4S)-1-((R)-2-amino-3-methyl-3-(pyridin-3-ylmet...) Show SMILES CC(C)(SCc1cccnc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N Show InChI InChI=1S/C16H21FN4OS/c1-16(2,23-10-11-4-3-5-20-8-11)14(19)15(22)21-9-12(17)6-13(21)7-18/h3-5,8,12-14H,6,9-10,19H2,1-2H3/t12-,13-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human DPP4				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50173983 ((2S,4S)-1-((R)-2-amino-3-methyl-3-(3-phenylpropylt...) Show SMILES CC(C)(SCCCc1ccccc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N Show InChI InChI=1S/C19H26FN3OS/c1-19(2,25-10-6-9-14-7-4-3-5-8-14)17(22)18(24)23-13-15(20)11-16(23)12-21/h3-5,7-8,15-17H,6,9-11,13,22H2,1-2H3/t15-,16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human DPP4				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50173981 ((2S,4S)-1-((R)-3-(4-methoxybenzylthio)-2-amino-3-m...) Show SMILES COc1ccc(CSC(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1 Show InChI InChI=1S/C18H24FN3O2S/c1-18(2,25-11-12-4-6-15(24-3)7-5-12)16(21)17(23)22-10-13(19)8-14(22)9-20/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human DPP4				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					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))	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))	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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50173958 ((2S,4S)-1-((R)-2-amino-3-methyl-3-(pyridin-4-ylmet...) Show SMILES CC(C)(SCc1ccncc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N Show InChI InChI=1S/C16H21FN4OS/c1-16(2,23-10-11-3-5-20-6-4-11)14(19)15(22)21-9-12(17)7-13(21)8-18/h3-6,12-14H,7,9-10,19H2,1-2H3/t12-,13-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human DPP4				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263504 ((s)?n-(1-(2-fluoro-4-(trifluoromethoxy)phenyl)ethy...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3F)c(=O)c12 |r| Show InChI InChI=1S/C19H16F4N4O4/c1-10(12-7-6-11(8-13(12)20)31-19(21,22)23)24-16(28)9-27-18(29)17-14(25-26-27)4-3-5-15(17)30-2/h3-8,10H,9H2,1-2H3,(H,24,28)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (S)-N-(1-(2-[3H]-4-methoxyphenyl)propan-2-yl)-2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6(7H)-yl)acetamide from human GPR139 expres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00820 BindingDB Entry DOI: 10.7270/Q25B068P
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50173967 ((2S,4S)-1-((R)-2-amino-3-((5-chlorobenzo[b]thiophe...) Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1csc2ccc(Cl)cc12 Show InChI InChI=1S/C19H21ClFN3O3S2/c1-19(2,17(23)18(25)24-8-13(21)6-14(24)7-22)29(26,27)10-11-9-28-16-4-3-12(20)5-15(11)16/h3-5,9,13-14,17H,6,8,10,23H2,1-2H3/t13-,14-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human DPP4				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50173977 ((2S,4S)-1-((R)-2-amino-3-(3-(4-fluorophenyl)propyl...) Show SMILES CC(C)(SCCCc1ccc(F)cc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N Show InChI InChI=1S/C19H25F2N3OS/c1-19(2,26-9-3-4-13-5-7-14(20)8-6-13)17(23)18(25)24-12-15(21)10-16(24)11-22/h5-8,15-17H,3-4,9-10,12,23H2,1-2H3/t15-,16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human DPP4				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50173971 (CHEMBL427193 | N-(((R)-3-amino-4-((2S,4S)-2-cyano-...) Show SMILES CC(=O)NCSC(C)(C)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N Show InChI InChI=1S/C13H21FN4O2S/c1-8(19)17-7-21-13(2,3)11(16)12(20)18-6-9(14)4-10(18)5-15/h9-11H,4,6-7,16H2,1-3H3,(H,17,19)/t9-,10-,11+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human DPP4				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263369 ((s)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H20N4O3/c1-12-7-9-14(10-8-12)13(2)20-17(24)11-23-19(25)18-15(21-22-23)5-4-6-16(18)26-3/h4-10,13H,11H2,1-3H3,(H,20,24)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (S)-N-(1-(2-[3H]-4-methoxyphenyl)propan-2-yl)-2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6(7H)-yl)acetamide from human GPR139 expres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00820 BindingDB Entry DOI: 10.7270/Q25B068P
					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))	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))	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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50173963 ((2S,4S)-1-((R)-2-amino-3-(4-methoxybenzylsulfonyl)...) Show SMILES COc1ccc(CS(=O)(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1 |r| Show InChI InChI=1S/C18H24FN3O4S/c1-18(2,16(21)17(23)22-10-13(19)8-14(22)9-20)27(24,25)11-12-4-6-15(26-3)7-5-12/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human DPP4				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50173979 ((2S,4S)-1-((R)-2-amino-3-methyl-3-(phenethylthio)b...) Show SMILES CC(C)(SCCc1ccccc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N Show InChI InChI=1S/C18H24FN3OS/c1-18(2,24-9-8-13-6-4-3-5-7-13)16(21)17(23)22-12-14(19)10-15(22)11-20/h3-7,14-16H,8-10,12,21H2,1-2H3/t14-,15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human DPP4				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263453 ((s)-2-(6-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...) Show SMILES COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)c2c1 |r| Show InChI InChI=1S/C19H20N4O3/c1-12-4-6-14(7-5-12)13(2)20-18(24)11-23-19(25)16-10-15(26-3)8-9-17(16)21-22-23/h4-10,13H,11H2,1-3H3,(H,20,24)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (S)-N-(1-(2-[3H]-4-methoxyphenyl)propan-2-yl)-2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6(7H)-yl)acetamide from human GPR139 expres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00820 BindingDB Entry DOI: 10.7270/Q25B068P
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50173972 ((2S,4S)-1-((R)-3-(4-(trifluoromethyl)benzylthio)-2...) Show SMILES CC(C)(SCc1ccc(cc1)C(F)(F)F)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N Show InChI InChI=1S/C18H21F4N3OS/c1-17(2,15(24)16(26)25-9-13(19)7-14(25)8-23)27-10-11-3-5-12(6-4-11)18(20,21)22/h3-6,13-15H,7,9-10,24H2,1-2H3/t13-,14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human DPP4				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					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
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263420 ((s)?n-(1-(2,4-dimethylphenyl)ethyl)-2-(4-oxobenzo[...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C)cc1C |r| Show InChI InChI=1S/C19H20N4O2/c1-12-8-9-15(13(2)10-12)14(3)20-18(24)11-23-19(25)16-6-4-5-7-17(16)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (S)-N-(1-(2-[3H]-4-methoxyphenyl)propan-2-yl)-2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6(7H)-yl)acetamide from human GPR139 expres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00820 BindingDB Entry DOI: 10.7270/Q25B068P
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50173961 ((2S,4S)-1-((R)-3-(3-phenoxybenzylthio)-2-amino-3-m...) Show SMILES CC(C)(SCc1cccc(Oc2ccccc2)c1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N Show InChI InChI=1S/C23H26FN3O2S/c1-23(2,21(26)22(28)27-14-17(24)12-18(27)13-25)30-15-16-7-6-10-20(11-16)29-19-8-4-3-5-9-19/h3-11,17-18,21H,12,14-15,26H2,1-2H3/t17-,18-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human DPP4				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50173978 ((2S,4S)-1-((R)-3-(4-cyanobenzylsulfonyl)-2-amino-3...) Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(cc1)C#N Show InChI InChI=1S/C18H21FN4O3S/c1-18(2,16(22)17(24)23-10-14(19)7-15(23)9-21)27(25,26)11-13-5-3-12(8-20)4-6-13/h3-6,14-16H,7,10-11,22H2,1-2H3/t14-,15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human DPP4				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50173965 ((2S,4S)-1-((R)-3-(4-(methylsulfonyl)benzylsulfonyl...) Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H24FN3O5S2/c1-18(2,16(21)17(23)22-10-13(19)8-14(22)9-20)29(26,27)11-12-4-6-15(7-5-12)28(3,24)25/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human DPP4				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263490 ((s)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H17F3N4O4/c1-11(12-6-8-13(9-7-12)30-19(20,21)22)23-16(27)10-26-18(28)17-14(24-25-26)4-3-5-15(17)29-2/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (S)-N-(1-(2-[3H]-4-methoxyphenyl)propan-2-yl)-2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6(7H)-yl)acetamide from human GPR139 expres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00820 BindingDB Entry DOI: 10.7270/Q25B068P
					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))	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
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263482 ((s)-2-(8-fluoro-6-methyl-4-oxobenzo[d][1,2,3]triaz...) Show SMILES C[C@H](NC(=O)Cn1nnc2c(F)cc(C)cc2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C19H19FN4O2/c1-11-4-6-14(7-5-11)13(3)21-17(25)10-24-19(26)15-8-12(2)9-16(20)18(15)22-23-24/h4-9,13H,10H2,1-3H3,(H,21,25)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (S)-N-(1-(2-[3H]-4-methoxyphenyl)propan-2-yl)-2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6(7H)-yl)acetamide from human GPR139 expres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00820 BindingDB Entry DOI: 10.7270/Q25B068P
					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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50173957 ((2S,4S)-1-((R)-3-(4-methoxybenzylsulfinyl)-2-amino...) Show SMILES COc1ccc(CS(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1 Show InChI InChI=1S/C18H24FN3O3S/c1-18(2,26(24)11-12-4-6-15(25-3)7-5-12)16(21)17(23)22-10-13(19)8-14(22)9-20/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human DPP4				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1055 total )  |  Next  |  Last  >>

Jump to: