Compile Data Set for Download or QSAR

Found 405 hits with Last Name = 'taya' and Initial = 'n'   

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
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095997 (3',4',7-trihydroxyisoflavone | CHEMBL13486) Show SMILES Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096004 (7-Hydroxy-3-[4-(2-oxo-2H-chromen-3-yl)-thiazol-2-y...) Show SMILES Oc1ccc2cc(-c3nc(cs3)-c3cc4ccccc4oc3=O)c(=O)oc2c1 Show InChI InChI=1S/C21H11NO5S/c23-13-6-5-12-8-15(21(25)27-18(12)9-13)19-22-16(10-28-19)14-7-11-3-1-2-4-17(11)26-20(14)24/h1-10,23H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096003 (7-Hydroxy-3-phenyl-chromen-2-one | 7-hydroxy-3-phe...) Show SMILES Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1 Show InChI InChI=1S/C15H10O3/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9,16H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096001 (7-Hydroxy-3-pyrazolo[1,5-a]pyridin-2-yl-chromen-2-...) Show SMILES Oc1ccc2cc(-c3cc4ccccn4n3)c(=O)oc2c1 Show InChI InChI=1S/C16H10N2O3/c19-12-5-4-10-7-13(16(20)21-15(10)9-12)14-8-11-3-1-2-6-18(11)17-14/h1-9,19H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095993 (7-Hydroxy-2-oxo-2H-chromene-3-carbothioic acid ami...) Show SMILES NC(=S)c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C10H7NO3S/c11-9(15)7-3-5-1-2-6(12)4-8(5)14-10(7)13/h1-4,12H,(H2,11,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096002 (3-(4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl)-7-hydroxy...) Show SMILES Oc1ccc2cc(-c3nc(cs3)-c3ccc4OCOc4c3)c(=O)oc2c1 Show InChI InChI=1S/C19H11NO5S/c21-12-3-1-11-5-13(19(22)25-16(11)7-12)18-20-14(8-26-18)10-2-4-15-17(6-10)24-9-23-15/h1-8,21H,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096007 (2-Oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl...) Show SMILES O=C(COC(=O)c1cc2ccccc2oc1=O)c1ccccc1 Show InChI InChI=1S/C18H12O5/c19-15(12-6-2-1-3-7-12)11-22-17(20)14-10-13-8-4-5-9-16(13)23-18(14)21/h1-10H,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096006 (7-Hydroxy-3-(2-methyl-thiazol-4-yl)-chromen-2-one ...) Show SMILES Cc1nc(cs1)-c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C13H9NO3S/c1-7-14-11(6-18-7)10-4-8-2-3-9(15)5-12(8)17-13(10)16/h2-6,15H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096000 (3-(2-Fluoro-4-hydroxy-phenyl)-acrylic acid anion) Show SMILES Oc1ccc(\C=C\C([O-])=O)c(F)c1 Show InChI InChI=1S/C9H7FO3/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1-5,11H,(H,12,13)/p-1/b4-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) Show SMILES Oc1ccc2cc(C#N)c(=O)oc2c1 Show InChI InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096005 (7-Hydroxy-3-(4-methyl-thiazol-2-yl)-chromen-2-one ...) Show SMILES Cc1csc(n1)-c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C13H9NO3S/c1-7-6-18-12(14-7)10-4-8-2-3-9(15)5-11(8)17-13(10)16/h2-6,15H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096008 (3-Acetyl-7-hydroxy-chromen-2-one | 3-acetyl-7-hydr...) Show SMILES CC(=O)c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C11H8O4/c1-6(12)9-4-7-2-3-8(13)5-10(7)15-11(9)14/h2-5,13H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095996 (3-(7-Hydroxy-2-oxo-2H-chromen-3-yl)-3-oxo-propioni...) Show SMILES CCOC(=O)CC(=O)c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C14H12O6/c1-2-19-13(17)7-11(16)10-5-8-3-4-9(15)6-12(8)20-14(10)18/h3-6,15H,2,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096009 (3-(4-Dimethylamino-benzylidene)-chroman-2,4-dione ...) Show SMILES CN(C)c1ccc(\C=C2/C(=O)Oc3ccccc3C2=O)cc1 Show InChI InChI=1S/C18H15NO3/c1-19(2)13-9-7-12(8-10-13)11-15-17(20)14-5-3-4-6-16(14)22-18(15)21/h3-11H,1-2H3/b15-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095995 (7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL E...) Show SMILES CCOC(=O)c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273203 (CHEMBL4128929) Show SMILES COCCCCn1c(ccc1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C30H44N4O4/c1-23(2)22-34(26-19-25(20-31-21-26)29(35)32-14-17-38-18-15-32)30(36)28-12-11-27(24-9-5-4-6-10-24)33(28)13-7-8-16-37-3/h4-6,9-12,23,25-26,31H,7-8,13-22H2,1-3H3/t25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451372 (CHEMBL4217405) Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1C)C(=O)Nc1cc(CN(C)C)ccc1OC(F)(F)F)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C34H36F4N6O4/c1-20-15-23(35)10-11-28(20)44-14-13-43(19-30(44)45)33(47)41-31(21(2)25-17-39-26-8-6-5-7-24(25)26)32(46)40-27-16-22(18-42(3)4)9-12-29(27)48-34(36,37)38/h5-12,15-17,21,31,39H,13-14,18-19H2,1-4H3,(H,40,46)(H,41,47)/t21-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273163 (CHEMBL4126136) Show SMILES CCCCCNc1nc(ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(C)(C)C |r| Show InChI InChI=1S/C28H48N6O3/c1-7-8-9-10-30-24-23(18-31-27(32-24)28(4,5)6)26(36)34(19-20(2)3)22-15-21(16-29-17-22)25(35)33-11-13-37-14-12-33/h18,20-22,29H,7-17,19H2,1-6H3,(H,30,31,32)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451373 (CHEMBL4206924) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)c1ccccc1)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C35H43N5O3/c1-5-43-32-16-15-25(23-39(3)4)21-31(32)37-34(41)33(24(2)29-22-36-30-14-10-9-13-28(29)30)38-35(42)40-19-17-27(18-20-40)26-11-7-6-8-12-26/h6-16,21-22,24,27,33,36H,5,17-20,23H2,1-4H3,(H,37,41)(H,38,42)/t24-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451391 (CHEMBL4212088) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1C)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C35H41FN6O4/c1-6-46-31-14-11-24(20-40(4)5)18-29(31)38-34(44)33(23(3)27-19-37-28-10-8-7-9-26(27)28)39-35(45)41-15-16-42(32(43)21-41)30-13-12-25(36)17-22(30)2/h7-14,17-19,23,33,37H,6,15-16,20-21H2,1-5H3,(H,38,44)(H,39,45)/t23-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451392 (CHEMBL4214725) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C34H39FN6O4/c1-5-45-30-15-10-23(20-39(3)4)18-29(30)37-33(43)32(22(2)27-19-36-28-9-7-6-8-26(27)28)38-34(44)40-16-17-41(31(42)21-40)25-13-11-24(35)12-14-25/h6-15,18-19,22,32,36H,5,16-17,20-21H2,1-4H3,(H,37,43)(H,38,44)/t22-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451394 (CHEMBL4205606) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(CC1)c1ccc(F)cc1)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C34H41FN6O3/c1-5-44-31-15-10-24(22-39(3)4)20-30(31)37-33(42)32(23(2)28-21-36-29-9-7-6-8-27(28)29)38-34(43)41-18-16-40(17-19-41)26-13-11-25(35)12-14-26/h6-15,20-21,23,32,36H,5,16-19,22H2,1-4H3,(H,37,42)(H,38,43)/t23-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451384 (CHEMBL4210064) Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1C)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C35H39FN6O4/c1-21-16-25(36)11-13-31(21)42-15-14-41(20-32(42)44)35(46)39-33(22(2)28-18-37-29-9-7-6-8-27(28)29)34(45)38-30-17-24(19-40(4)5)10-12-26(30)23(3)43/h6-13,16-18,22,33,37H,14-15,19-20H2,1-5H3,(H,38,45)(H,39,46)/t22-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273198 (CHEMBL4130200) Show SMILES COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@H](CO)C1 |r| Show InChI InChI=1S/C23H36N4O3/c1-17(2)15-27(19-12-18(16-28)13-24-14-19)23(29)22-25-20-8-4-5-9-21(20)26(22)10-6-7-11-30-3/h4-5,8-9,17-19,24,28H,6-7,10-16H2,1-3H3/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451385 (CHEMBL4205969) Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C34H37FN6O4/c1-21(28-18-36-29-8-6-5-7-27(28)29)32(33(44)37-30-17-23(19-39(3)4)9-14-26(30)22(2)42)38-34(45)40-15-16-41(31(43)20-40)25-12-10-24(35)11-13-25/h5-14,17-18,21,32,36H,15-16,19-20H2,1-4H3,(H,37,44)(H,38,45)/t21-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273198 (CHEMBL4130200) Show SMILES COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@H](CO)C1 |r| Show InChI InChI=1S/C23H36N4O3/c1-17(2)15-27(19-12-18(16-28)13-24-14-19)23(29)22-25-20-8-4-5-9-21(20)26(22)10-6-7-11-30-3/h4-5,8-9,17-19,24,28H,6-7,10-16H2,1-3H3/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50195782 (CHEMBL3958809) Show SMILES COCCCNc1nc(ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(C)(C)C |r| Show InChI InChI=1S/C27H46N6O4/c1-19(2)18-33(21-14-20(15-28-16-21)24(34)32-9-12-37-13-10-32)25(35)22-17-30-26(27(3,4)5)31-23(22)29-8-7-11-36-6/h17,19-21,28H,7-16,18H2,1-6H3,(H,29,30,31)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273202 (CHEMBL4129081) Show SMILES COCCCCc1c(nnn1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H42N6O4/c1-21(2)20-33(24-17-22(18-29-19-24)27(35)32-12-15-38-16-13-32)28(36)26-25(11-7-8-14-37-3)34(31-30-26)23-9-5-4-6-10-23/h4-6,9-10,21-22,24,29H,7-8,11-20H2,1-3H3/t22-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273160 (IMARIKIREN) Show SMILES COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H41N5O4/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451382 (CHEMBL4205696) Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1)C(=O)Nc1cc(CN(C)C)ccc1OC(F)(F)F)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C33H34F4N6O4/c1-20(25-17-38-26-7-5-4-6-24(25)26)30(31(45)39-27-16-21(18-41(2)3)8-13-28(27)47-33(35,36)37)40-32(46)42-14-15-43(29(44)19-42)23-11-9-22(34)10-12-23/h4-13,16-17,20,30,38H,14-15,18-19H2,1-3H3,(H,39,45)(H,40,46)/t20-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451399 (CHEMBL4208528) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)c1cccs1)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C34H41N5O4S/c1-5-43-29-13-12-23(21-38(3)4)19-28(29)36-33(41)31(22(2)26-20-35-27-10-7-6-9-25(26)27)37-34(42)39-16-14-24(15-17-39)32(40)30-11-8-18-44-30/h6-13,18-20,22,24,31,35H,5,14-17,21H2,1-4H3,(H,36,41)(H,37,42)/t22-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273174 (CHEMBL4125900) Show SMILES CC(C)CN([C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(=O)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C22H31N5O3/c1-15(2)14-27(22(29)20-24-18-5-3-4-6-19(18)25-20)17-11-16(12-23-13-17)21(28)26-7-9-30-10-8-26/h3-6,15-17,23H,7-14H2,1-2H3,(H,24,25)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451395 (CHEMBL4211422) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)C1CCC1)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C34H45N5O4/c1-5-43-30-14-13-23(21-38(3)4)19-29(30)36-33(41)31(22(2)27-20-35-28-12-7-6-11-26(27)28)37-34(42)39-17-15-25(16-18-39)32(40)24-9-8-10-24/h6-7,11-14,19-20,22,24-25,31,35H,5,8-10,15-18,21H2,1-4H3,(H,36,41)(H,37,42)/t22-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273161 (CHEMBL4127179) Show SMILES CC(C)CN([C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(=O)c1nc2ccccc2n1C |r| Show InChI InChI=1S/C23H33N5O3/c1-16(2)15-28(23(30)21-25-19-6-4-5-7-20(19)26(21)3)18-12-17(13-24-14-18)22(29)27-8-10-31-11-9-27/h4-7,16-18,24H,8-15H2,1-3H3/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273163 (CHEMBL4126136) Show SMILES CCCCCNc1nc(ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(C)(C)C |r| Show InChI InChI=1S/C28H48N6O3/c1-7-8-9-10-30-24-23(18-31-27(32-24)28(4,5)6)26(36)34(19-20(2)3)22-15-21(16-29-17-22)25(35)33-11-13-37-14-12-33/h18,20-22,29H,7-17,19H2,1-6H3,(H,30,31,32)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273202 (CHEMBL4129081) Show SMILES COCCCCc1c(nnn1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H42N6O4/c1-21(2)20-33(24-17-22(18-29-19-24)27(35)32-12-15-38-16-13-32)28(36)26-25(11-7-8-14-37-3)34(31-30-26)23-9-5-4-6-10-23/h4-6,9-10,21-22,24,29H,7-8,11-20H2,1-3H3/t22-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273161 (CHEMBL4127179) Show SMILES CC(C)CN([C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(=O)c1nc2ccccc2n1C |r| Show InChI InChI=1S/C23H33N5O3/c1-16(2)15-28(23(30)21-25-19-6-4-5-7-20(19)26(21)3)18-12-17(13-24-14-18)22(29)27-8-10-31-11-9-27/h4-7,16-18,24H,8-15H2,1-3H3/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273172 (CHEMBL4129865) Show SMILES CCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C24H35N5O3/c1-4-28-21-8-6-5-7-20(21)26-22(28)24(31)29(16-17(2)3)19-13-18(14-25-15-19)23(30)27-9-11-32-12-10-27/h5-8,17-19,25H,4,9-16H2,1-3H3/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451390 (CHEMBL4210627) Show SMILES C[C@H]([C@@H](NC(=O)N1CCC(CC1)C(=O)c1cccs1)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C34H39N5O4S/c1-21(27-19-35-28-9-6-5-8-26(27)28)31(33(42)36-29-18-23(20-38(3)4)11-12-25(29)22(2)40)37-34(43)39-15-13-24(14-16-39)32(41)30-10-7-17-44-30/h5-12,17-19,21,24,31,35H,13-16,20H2,1-4H3,(H,36,42)(H,37,43)/t21-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451388 (CHEMBL4215053) Show SMILES C[C@H]([C@@H](NC(=O)N1CCC(CC1)C(=O)C1CCC1)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C34H43N5O4/c1-21(28-19-35-29-11-6-5-10-27(28)29)31(33(42)36-30-18-23(20-38(3)4)12-13-26(30)22(2)40)37-34(43)39-16-14-25(15-17-39)32(41)24-8-7-9-24/h5-6,10-13,18-19,21,24-25,31,35H,7-9,14-17,20H2,1-4H3,(H,36,42)(H,37,43)/t21-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273162 (CHEMBL4128795) Show SMILES COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(C)(C)O |r| Show InChI InChI=1S/C25H40N4O3/c1-18(2)17-29(20-14-19(15-26-16-20)25(3,4)31)24(30)23-27-21-10-6-7-11-22(21)28(23)12-8-9-13-32-5/h6-7,10-11,18-20,26,31H,8-9,12-17H2,1-5H3/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273174 (CHEMBL4125900) Show SMILES CC(C)CN([C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(=O)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C22H31N5O3/c1-15(2)14-27(22(29)20-24-18-5-3-4-6-19(18)25-20)17-11-16(12-23-13-17)21(28)26-7-9-30-10-8-26/h3-6,15-17,23H,7-14H2,1-2H3,(H,24,25)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50195782 (CHEMBL3958809) Show SMILES COCCCNc1nc(ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(C)(C)C |r| Show InChI InChI=1S/C27H46N6O4/c1-19(2)18-33(21-14-20(15-28-16-21)24(34)32-9-12-37-13-10-32)25(35)22-17-30-26(27(3,4)5)31-23(22)29-8-7-11-36-6/h17,19-21,28H,7-16,18H2,1-6H3,(H,29,30,31)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273173 (CHEMBL4129207) Show SMILES COCCCCn1c(cc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H42N4O4/c1-21(2)20-32(24-16-23(18-29-19-24)27(33)30-11-14-36-15-12-30)28(34)26-17-22-8-4-5-9-25(22)31(26)10-6-7-13-35-3/h4-5,8-9,17,21,23-24,29H,6-7,10-16,18-20H2,1-3H3/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273170 (CHEMBL4130109) Show SMILES COCCCCc1c(ncn1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H43N5O4/c1-22(2)20-33(25-17-23(18-30-19-25)28(35)32-12-15-38-16-13-32)29(36)27-26(11-7-8-14-37-3)34(21-31-27)24-9-5-4-6-10-24/h4-6,9-10,21-23,25,30H,7-8,11-20H2,1-3H3/t23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273160 (IMARIKIREN) Show SMILES COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H41N5O4/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM17950 ((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273172 (CHEMBL4129865) Show SMILES CCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C24H35N5O3/c1-4-28-21-8-6-5-7-20(21)26-22(28)24(31)29(16-17(2)3)19-13-18(14-25-15-19)23(30)27-9-11-32-12-10-27/h5-8,17-19,25H,4,9-16H2,1-3H3/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451396 (CHEMBL4216387) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)CC(C)C)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C34H47N5O4/c1-7-43-31-13-12-24(21-38(5)6)19-29(31)36-33(41)32(23(4)27-20-35-28-11-9-8-10-26(27)28)37-34(42)39-16-14-25(15-17-39)30(40)18-22(2)3/h8-13,19-20,22-23,25,32,35H,7,14-18,21H2,1-6H3,(H,36,41)(H,37,42)/t23-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...				Bioorg Med Chem 25: 5995-6006 (2017) Article DOI: 10.1016/j.bmc.2017.09.031 BindingDB Entry DOI: 10.7270/Q2PR7ZK8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273199 (CHEMBL4128438) Show SMILES COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@H]1CCCNC1 |r| Show InChI InChI=1S/C22H34N4O2/c1-17(2)16-26(18-9-8-12-23-15-18)22(27)21-24-19-10-4-5-11-20(19)25(21)13-6-7-14-28-3/h4-5,10-11,17-18,23H,6-9,12-16H2,1-3H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair

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