Compile Data Set for Download or QSAR

Found 147 hits with Last Name = 'matsumoto' and Initial = 'si'   

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
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
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))	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))	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))	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))	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
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
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
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
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
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
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50451386 (CHEMBL4203793) Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(CC1)C(=O)C(C)(C)C)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C33H44N6O4/c1-21(26-19-34-27-11-9-8-10-25(26)27)29(36-32(43)39-16-14-38(15-17-39)31(42)33(3,4)5)30(41)35-28-18-23(20-37(6)7)12-13-24(28)22(2)40/h8-13,18-19,21,29,34H,14-17,20H2,1-7H3,(H,35,41)(H,36,43)/t21-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.980	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))	BDBM50451397 (CHEMBL4208009) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)C(C)C)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C33H45N5O4/c1-7-42-29-13-12-23(20-37(5)6)18-28(29)35-32(40)30(22(4)26-19-34-27-11-9-8-10-25(26)27)36-33(41)38-16-14-24(15-17-38)31(39)21(2)3/h8-13,18-19,21-22,24,30,34H,7,14-17,20H2,1-6H3,(H,35,40)(H,36,41)/t22-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	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))	BDBM50451387 (CHEMBL4203387) Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(CC1)C(=O)C1CCC1)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C33H42N6O4/c1-21(27-19-34-28-11-6-5-10-26(27)28)30(31(41)35-29-18-23(20-37(3)4)12-13-25(29)22(2)40)36-33(43)39-16-14-38(15-17-39)32(42)24-8-7-9-24/h5-6,10-13,18-19,21,24,30,34H,7-9,14-17,20H2,1-4H3,(H,35,41)(H,36,43)/t21-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	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))	BDBM50451398 (CHEMBL4203652) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)c1nccs1)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C33H40N6O4S/c1-5-43-28-11-10-22(20-38(3)4)18-27(28)36-31(41)29(21(2)25-19-35-26-9-7-6-8-24(25)26)37-33(42)39-15-12-23(13-16-39)30(40)32-34-14-17-44-32/h6-11,14,17-19,21,23,29,35H,5,12-13,15-16,20H2,1-4H3,(H,36,41)(H,37,42)/t21-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	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))	BDBM50451389 (CHEMBL4215052) Show SMILES CC(C)C(=O)C1CCN(CC1)C(=O)N[C@H]([C@@H](C)c1c[nH]c2ccccc12)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O |r| Show InChI InChI=1S/C33H43N5O4/c1-20(2)31(40)24-13-15-38(16-14-24)33(42)36-30(21(3)27-18-34-28-10-8-7-9-26(27)28)32(41)35-29-17-23(19-37(5)6)11-12-25(29)22(4)39/h7-12,17-18,20-21,24,30,34H,13-16,19H2,1-6H3,(H,35,41)(H,36,42)/t21-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	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))	BDBM50451393 (CHEMBL4202861) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(CC1)C(=O)C1CCC1)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C33H44N6O4/c1-5-43-29-14-13-23(21-37(3)4)19-28(29)35-31(40)30(22(2)26-20-34-27-12-7-6-11-25(26)27)36-33(42)39-17-15-38(16-18-39)32(41)24-9-8-10-24/h6-7,11-14,19-20,22,24,30,34H,5,8-10,15-18,21H2,1-4H3,(H,35,40)(H,36,42)/t22-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	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))	BDBM50451370 (CHEMBL4204193) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)c1ccco1)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C34H41N5O5/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	2.30	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))	BDBM50451369 (CHEMBL4207735) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(CC1)C(=O)C(C)(C)C)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C33H46N6O4/c1-8-43-28-14-13-23(21-37(6)7)19-27(28)35-30(40)29(22(2)25-20-34-26-12-10-9-11-24(25)26)36-32(42)39-17-15-38(16-18-39)31(41)33(3,4)5/h9-14,19-20,22,29,34H,8,15-18,21H2,1-7H3,(H,35,40)(H,36,42)/t22-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	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))	BDBM50451371 (CHEMBL4212910) Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)c1ccccn1)[C@@H](C)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C35H42N6O4/c1-5-45-31-14-13-24(22-40(3)4)20-30(31)38-34(43)32(23(2)27-21-37-28-11-7-6-10-26(27)28)39-35(44)41-18-15-25(16-19-41)33(42)29-12-8-9-17-36-29/h6-14,17,20-21,23,25,32,37H,5,15-16,18-19,22H2,1-4H3,(H,38,43)(H,39,44)/t23-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	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))	BDBM50451383 (CHEMBL4205170) Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(CC1)C(=O)C(C)(C)C)C(=O)Nc1cc(CN(C)C)ccc1OC(F)(F)F)c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C32H41F3N6O4/c1-20(23-18-36-24-10-8-7-9-22(23)24)27(38-30(44)41-15-13-40(14-16-41)29(43)31(2,3)4)28(42)37-25-17-21(19-39(5)6)11-12-26(25)45-32(33,34)35/h7-12,17-18,20,27,36H,13-16,19H2,1-6H3,(H,37,42)(H,38,44)/t20-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	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
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50282224 (CHEMBL4172856) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC2CCN(CC2)C(=O)OC2(C)CC2)c2ccccc2n(C)c1=O Show InChI InChI=1S/C34H37F6N3O5/c1-32(12-13-32)48-31(46)43-14-10-21(11-15-43)7-6-16-47-28-25-8-4-5-9-26(25)42(3)30(45)27(28)29(44)41(2)20-22-17-23(33(35,36)37)19-24(18-22)34(38,39)40/h4-5,8-9,17-19,21H,6-7,10-16,20H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dihydrofolate reductase obtained from human				Eur J Med Chem 136: 283-293 (2017) Article DOI: 10.1016/j.ejmech.2017.04.067 BindingDB Entry DOI: 10.7270/Q29G5QB9
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50282208 (CHEMBL4177314) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCc2ccnc(c2)-c2ccccc2)c2ccccc2n(C)c1=O Show InChI InChI=1S/C33H25F6N3O3/c1-41(18-21-14-23(32(34,35)36)17-24(15-21)33(37,38)39)30(43)28-29(25-10-6-7-11-27(25)42(2)31(28)44)45-19-20-12-13-40-26(16-20)22-8-4-3-5-9-22/h3-17H,18-19H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Folyl-polyglutamate synthase obtained from porcine				Eur J Med Chem 136: 283-293 (2017) Article DOI: 10.1016/j.ejmech.2017.04.067 BindingDB Entry DOI: 10.7270/Q29G5QB9
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	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 SSTR4 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 5 (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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	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 SSTR5 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 3 (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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	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 SSTR3 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
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50282210 (CHEMBL4162182) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(N2CCCC2)c2ccccc2n(C)c1=O Show InChI InChI=1S/C25H23F6N3O2/c1-32(14-15-11-16(24(26,27)28)13-17(12-15)25(29,30)31)22(35)20-21(34-9-5-6-10-34)18-7-3-4-8-19(18)33(2)23(20)36/h3-4,7-8,11-13H,5-6,9-10,14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human SMS2 expressed in HEK293T cells using C2-ceramide as substrate preincubated for 60 mins followed by substrate addition measured a...				Eur J Med Chem 136: 283-293 (2017) Article DOI: 10.1016/j.ejmech.2017.04.067 BindingDB Entry DOI: 10.7270/Q29G5QB9
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50282210 (CHEMBL4162182) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(N2CCCC2)c2ccccc2n(C)c1=O Show InChI InChI=1S/C25H23F6N3O2/c1-32(14-15-11-16(24(26,27)28)13-17(12-15)25(29,30)31)22(35)20-21(34-9-5-6-10-34)18-7-3-4-8-19(18)33(2)23(20)36/h3-4,7-8,11-13H,5-6,9-10,14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of thymidylate synthase obtained from human				Eur J Med Chem 136: 283-293 (2017) Article DOI: 10.1016/j.ejmech.2017.04.067 BindingDB Entry DOI: 10.7270/Q29G5QB9
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50282210 (CHEMBL4162182) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(N2CCCC2)c2ccccc2n(C)c1=O Show InChI InChI=1S/C25H23F6N3O2/c1-32(14-15-11-16(24(26,27)28)13-17(12-15)25(29,30)31)22(35)20-21(34-9-5-6-10-34)18-7-3-4-8-19(18)33(2)23(20)36/h3-4,7-8,11-13H,5-6,9-10,14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human SMS2				Eur J Med Chem 136: 283-293 (2017) Article DOI: 10.1016/j.ejmech.2017.04.067 BindingDB Entry DOI: 10.7270/Q29G5QB9
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50282224 (CHEMBL4172856) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC2CCN(CC2)C(=O)OC2(C)CC2)c2ccccc2n(C)c1=O Show InChI InChI=1S/C34H37F6N3O5/c1-32(12-13-32)48-31(46)43-14-10-21(11-15-43)7-6-16-47-28-25-8-4-5-9-26(25)42(3)30(45)27(28)29(44)41(2)20-22-17-23(33(35,36)37)19-24(18-22)34(38,39)40/h4-5,8-9,17-19,21H,6-7,10-16,20H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of [3H]- glycine binding to NMDA receptor from rat cortical membranes.				Eur J Med Chem 136: 283-293 (2017) Article DOI: 10.1016/j.ejmech.2017.04.067 BindingDB Entry DOI: 10.7270/Q29G5QB9
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	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 SSTR5 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
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50282210 (CHEMBL4162182) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(N2CCCC2)c2ccccc2n(C)c1=O Show InChI InChI=1S/C25H23F6N3O2/c1-32(14-15-11-16(24(26,27)28)13-17(12-15)25(29,30)31)22(35)20-21(34-9-5-6-10-34)18-7-3-4-8-19(18)33(2)23(20)36/h3-4,7-8,11-13H,5-6,9-10,14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of glycinamide ribonucleotide transformylase obtained from porcine (GAR Tfase)				Eur J Med Chem 136: 283-293 (2017) Article DOI: 10.1016/j.ejmech.2017.04.067 BindingDB Entry DOI: 10.7270/Q29G5QB9
					More data for this Ligand-Target Pair
Somatostatin receptor type 1 (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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+3	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 SSTR1 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
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50282208 (CHEMBL4177314) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCc2ccnc(c2)-c2ccccc2)c2ccccc2n(C)c1=O Show InChI InChI=1S/C33H25F6N3O3/c1-41(18-21-14-23(32(34,35)36)17-24(15-21)33(37,38)39)30(43)28-29(25-10-6-7-11-27(25)42(2)31(28)44)45-19-20-12-13-40-26(16-20)22-8-4-3-5-9-22/h3-17H,18-19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of full length C-terminal FLAG tagged human SMS1 expressed in HEK293 cell membranes using DMPC-d72 and C17-ceramide as substrate preincuba...				Eur J Med Chem 136: 283-293 (2017) Article DOI: 10.1016/j.ejmech.2017.04.067 BindingDB Entry DOI: 10.7270/Q29G5QB9
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50282209 (CHEMBL1161894) Show SMILES SC(=S)OC1CC2CC1C1CCCC21 |THB:3:4:7:9.13,10:9:7:4.5,12:13:7:4.5| Show InChI InChI=1S/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of full length C-terminal FLAG tagged human SMS2 expressed in HEK293 cell membranes using DMPC-d72 and C17-ceramide as substrate preincuba...				Eur J Med Chem 136: 283-293 (2017) Article DOI: 10.1016/j.ejmech.2017.04.067 BindingDB Entry DOI: 10.7270/Q29G5QB9
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50282209 (CHEMBL1161894) Show SMILES SC(=S)OC1CC2CC1C1CCCC21 |THB:3:4:7:9.13,10:9:7:4.5,12:13:7:4.5| Show InChI InChI=1S/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human Dihydrofolate reductase				Eur J Med Chem 136: 283-293 (2017) Article DOI: 10.1016/j.ejmech.2017.04.067 BindingDB Entry DOI: 10.7270/Q29G5QB9
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50282210 (CHEMBL4162182) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(N2CCCC2)c2ccccc2n(C)c1=O Show InChI InChI=1S/C25H23F6N3O2/c1-32(14-15-11-16(24(26,27)28)13-17(12-15)25(29,30)31)22(35)20-21(34-9-5-6-10-34)18-7-3-4-8-19(18)33(2)23(20)36/h3-4,7-8,11-13H,5-6,9-10,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human SMS1				Eur J Med Chem 136: 283-293 (2017) Article DOI: 10.1016/j.ejmech.2017.04.067 BindingDB Entry DOI: 10.7270/Q29G5QB9
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50196417 (CHEMBL3977235) Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C57H80N16O13/c1-30(2)24-42(51(81)65-40(18-13-23-62-56(60)61-6)50(80)66-41(48(59)78)27-36-29-63-39-17-12-11-16-38(36)39)69-57(86)72-71-53(83)43(25-34-14-9-8-10-15-34)68-54(84)47(32(4)74)70-52(82)44(28-46(58)77)67-49(79)31(3)73(7)55(85)45(64-33(5)75)26-35-19-21-37(76)22-20-35/h8-12,14-17,19-22,29-32,40-45,47,63,74,76H,13,18,23-28H2,1-7H3,(H2,58,77)(H2,59,78)(H,64,75)(H,65,81)(H,66,80)(H,67,79)(H,68,84)(H,70,82)(H,71,83)(H3,60,61,62)(H2,69,72,86)/t31-,32-,40+,41+,42+,43+,44+,45-,47+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...				J Med Chem 59: 8804-8811 (2016) Article DOI: 10.1021/acs.jmedchem.6b00379 BindingDB Entry DOI: 10.7270/Q2000425
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50196418 (CHEMBL3967058) Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C57H78N16O13/c1-30(2)24-41(50(80)65-39(16-11-22-62-56(60)61-5)49(79)66-40(48(59)78)27-35-29-63-38-15-10-9-14-37(35)38)69-57(86)72-71-52(82)42(25-33-12-7-6-8-13-33)68-54(84)47(31(3)74)70-51(81)43(28-46(58)77)67-53(83)45-21-23-73(45)55(85)44(64-32(4)75)26-34-17-19-36(76)20-18-34/h6-10,12-15,17-20,29-31,39-45,47,63,74,76H,11,16,21-28H2,1-5H3,(H2,58,77)(H2,59,78)(H,64,75)(H,65,80)(H,66,79)(H,67,83)(H,68,84)(H,70,81)(H,71,82)(H3,60,61,62)(H2,69,72,86)/t31-,39+,40+,41+,42+,43+,44-,45+,47+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...				J Med Chem 59: 8804-8811 (2016) Article DOI: 10.1021/acs.jmedchem.6b00379 BindingDB Entry DOI: 10.7270/Q2000425
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50196419 (CHEMBL3930297) Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C64H82FN17O13/c1-33(2)24-48(57(89)74-46(18-11-23-70-63(68)69-5)56(88)75-47(55(67)87)28-38-31-71-44-16-8-6-14-42(38)44)79-64(95)82-81-61(93)50(27-37-12-10-13-40(65)25-37)78-62(94)54(34(3)83)80-60(92)52(30-53(66)86)77-59(91)51(29-39-32-72-45-17-9-7-15-43(39)45)76-58(90)49(73-35(4)84)26-36-19-21-41(85)22-20-36/h6-10,12-17,19-22,25,31-34,46-52,54,71-72,83,85H,11,18,23-24,26-30H2,1-5H3,(H2,66,86)(H2,67,87)(H,73,84)(H,74,89)(H,75,88)(H,76,90)(H,77,91)(H,78,94)(H,80,92)(H,81,93)(H3,68,69,70)(H2,79,82,95)/t34-,46+,47+,48+,49-,50+,51-,52+,54+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...				J Med Chem 59: 8804-8811 (2016) Article DOI: 10.1021/acs.jmedchem.6b00379 BindingDB Entry DOI: 10.7270/Q2000425
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50196420 (CHEMBL3924151) Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C58H80N16O14/c1-30(2)22-42(51(82)66-40(16-11-21-63-57(61)62-5)50(81)67-41(49(60)80)25-35-28-64-39-15-10-9-14-38(35)39)70-58(88)73-72-53(84)43(23-33-12-7-6-8-13-33)69-55(86)48(31(3)75)71-52(83)44(27-47(59)79)68-54(85)46-26-37(78)29-74(46)56(87)45(65-32(4)76)24-34-17-19-36(77)20-18-34/h6-10,12-15,17-20,28,30-31,37,40-46,48,64,75,77-78H,11,16,21-27,29H2,1-5H3,(H2,59,79)(H2,60,80)(H,65,76)(H,66,82)(H,67,81)(H,68,85)(H,69,86)(H,71,83)(H,72,84)(H3,61,62,63)(H2,70,73,88)/t31-,37-,40+,41+,42+,43+,44+,45-,46+,48+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.20	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...				J Med Chem 59: 8804-8811 (2016) Article DOI: 10.1021/acs.jmedchem.6b00379 BindingDB Entry DOI: 10.7270/Q2000425
					More data for this Ligand-Target Pair
KiSS-1 receptor (Rattus norvegicus)	BDBM50196421 (CHEMBL3985112) Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C64H83N17O13/c1-34(2)26-48(57(88)73-46(20-13-25-69-63(67)68-5)56(87)74-47(55(66)86)29-39-32-70-44-18-11-9-16-42(39)44)78-64(94)81-80-61(92)50(27-37-14-7-6-8-15-37)77-62(93)54(35(3)82)79-60(91)52(31-53(65)85)76-59(90)51(30-40-33-71-45-19-12-10-17-43(40)45)75-58(89)49(72-36(4)83)28-38-21-23-41(84)24-22-38/h6-12,14-19,21-24,32-35,46-52,54,70-71,82,84H,13,20,25-31H2,1-5H3,(H2,65,85)(H2,66,86)(H,72,83)(H,73,88)(H,74,87)(H,75,89)(H,76,90)(H,77,93)(H,79,91)(H,80,92)(H3,67,68,69)(H2,78,81,94)/t35-,46+,47+,48+,49-,50+,51+,52+,54+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.80	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...				J Med Chem 59: 8804-8811 (2016) Article DOI: 10.1021/acs.jmedchem.6b00379 BindingDB Entry DOI: 10.7270/Q2000425
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50196422 (CHEMBL3967782) Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C58H79FN16O14/c1-29(2)20-42(51(83)67-40(14-9-19-64-57(62)63-5)50(82)68-41(49(61)81)24-34-27-65-39-13-7-6-12-38(34)39)71-58(89)74-73-53(85)43(23-33-10-8-11-35(59)21-33)70-55(87)48(30(3)76)72-52(84)44(26-47(60)80)69-54(86)46-25-37(79)28-75(46)56(88)45(66-31(4)77)22-32-15-17-36(78)18-16-32/h6-8,10-13,15-18,21,27,29-30,37,40-46,48,65,76,78-79H,9,14,19-20,22-26,28H2,1-5H3,(H2,60,80)(H2,61,81)(H,66,77)(H,67,83)(H,68,82)(H,69,86)(H,70,87)(H,72,84)(H,73,85)(H3,62,63,64)(H2,71,74,89)/t30-,37-,40+,41+,42+,43+,44+,45-,46+,48+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.75	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...				J Med Chem 59: 8804-8811 (2016) Article DOI: 10.1021/acs.jmedchem.6b00379 BindingDB Entry DOI: 10.7270/Q2000425
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50196423 (CHEMBL3977314) Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C58H79FN16O15/c1-29(2)22-42(52(85)67-39(14-9-21-64-57(62)63-5)50(83)69-41(49(61)82)26-34-28-65-38-13-7-6-12-37(34)38)72-58(90)75-74-55(88)44(25-33-10-8-11-35(59)23-33)71-56(89)48(30(3)76)73-54(87)45(27-46(60)79)70-51(84)40(19-20-47(80)81)68-53(86)43(66-31(4)77)24-32-15-17-36(78)18-16-32/h6-8,10-13,15-18,23,28-30,39-45,48,65,76,78H,9,14,19-22,24-27H2,1-5H3,(H2,60,79)(H2,61,82)(H,66,77)(H,67,85)(H,68,86)(H,69,83)(H,70,84)(H,71,89)(H,73,87)(H,74,88)(H,80,81)(H3,62,63,64)(H2,72,75,90)/t30-,39+,40+,41+,42+,43-,44+,45+,48+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.470	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...				J Med Chem 59: 8804-8811 (2016) Article DOI: 10.1021/acs.jmedchem.6b00379 BindingDB Entry DOI: 10.7270/Q2000425
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50196424 (CHEMBL3966187) Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C58H80N16O13/c1-31(2)25-42(51(81)66-40(17-11-23-63-57(61)62-5)50(80)67-41(49(60)79)28-36-30-64-39-16-10-9-15-38(36)39)70-58(87)73-72-53(83)43(26-34-13-7-6-8-14-34)69-55(85)48(32(3)75)71-52(82)44(29-47(59)78)68-54(84)46-18-12-24-74(46)56(86)45(65-33(4)76)27-35-19-21-37(77)22-20-35/h6-10,13-16,19-22,30-32,40-46,48,64,75,77H,11-12,17-18,23-29H2,1-5H3,(H2,59,78)(H2,60,79)(H,65,76)(H,66,81)(H,67,80)(H,68,84)(H,69,85)(H,71,82)(H,72,83)(H3,61,62,63)(H2,70,73,87)/t32-,40+,41+,42+,43+,44+,45-,46-,48+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.80	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...				J Med Chem 59: 8804-8811 (2016) Article DOI: 10.1021/acs.jmedchem.6b00379 BindingDB Entry DOI: 10.7270/Q2000425
					More data for this Ligand-Target Pair
KiSS-1 receptor (Rattus norvegicus)	BDBM50196424 (CHEMBL3966187) Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C58H80N16O13/c1-31(2)25-42(51(81)66-40(17-11-23-63-57(61)62-5)50(80)67-41(49(60)79)28-36-30-64-39-16-10-9-15-38(36)39)70-58(87)73-72-53(83)43(26-34-13-7-6-8-14-34)69-55(85)48(32(3)75)71-52(82)44(29-47(59)78)68-54(84)46-18-12-24-74(46)56(86)45(65-33(4)76)27-35-19-21-37(77)22-20-35/h6-10,13-16,19-22,30-32,40-46,48,64,75,77H,11-12,17-18,23-29H2,1-5H3,(H2,59,78)(H2,60,79)(H,65,76)(H,66,81)(H,67,80)(H,68,84)(H,69,85)(H,71,82)(H,72,83)(H3,61,62,63)(H2,70,73,87)/t32-,40+,41+,42+,43+,44+,45-,46-,48+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...				J Med Chem 59: 8804-8811 (2016) Article DOI: 10.1021/acs.jmedchem.6b00379 BindingDB Entry DOI: 10.7270/Q2000425
					More data for this Ligand-Target Pair
KiSS-1 receptor (Rattus norvegicus)	BDBM50196425 (CHEMBL3904889) Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C56H78N16O13/c1-29(2)23-41(51(81)65-39(17-12-22-61-55(59)60-6)49(79)66-40(47(58)77)26-35-28-62-38-16-11-10-15-37(35)38)69-56(85)72-71-53(83)43(24-33-13-8-7-9-14-33)68-54(84)46(31(4)73)70-52(82)44(27-45(57)76)67-48(78)30(3)63-50(80)42(64-32(5)74)25-34-18-20-36(75)21-19-34/h7-11,13-16,18-21,28-31,39-44,46,62,73,75H,12,17,22-27H2,1-6H3,(H2,57,76)(H2,58,77)(H,63,80)(H,64,74)(H,65,81)(H,66,79)(H,67,78)(H,68,84)(H,70,82)(H,71,83)(H3,59,60,61)(H2,69,72,85)/t30-,31-,39+,40+,41+,42-,43+,44+,46+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...				J Med Chem 59: 8804-8811 (2016) Article DOI: 10.1021/acs.jmedchem.6b00379 BindingDB Entry DOI: 10.7270/Q2000425
					More data for this Ligand-Target Pair
KiSS-1 receptor (Rattus norvegicus)	BDBM50196426 (CHEMBL3964403) Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C63H82N16O13/c1-34(2)26-47(56(86)71-45(20-13-25-68-62(66)67-5)55(85)72-46(54(65)84)29-41-32-69-44-19-12-11-18-43(41)44)75-63(92)78-77-58(88)48(27-37-14-7-6-8-15-37)74-60(90)53(35(3)80)76-57(87)49(31-52(64)83)73-59(89)51-30-39-16-9-10-17-40(39)33-79(51)61(91)50(70-36(4)81)28-38-21-23-42(82)24-22-38/h6-12,14-19,21-24,32,34-35,45-51,53,69,80,82H,13,20,25-31,33H2,1-5H3,(H2,64,83)(H2,65,84)(H,70,81)(H,71,86)(H,72,85)(H,73,89)(H,74,90)(H,76,87)(H,77,88)(H3,66,67,68)(H2,75,78,92)/t35-,45+,46+,47+,48+,49+,50-,51+,53+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...				J Med Chem 59: 8804-8811 (2016) Article DOI: 10.1021/acs.jmedchem.6b00379 BindingDB Entry DOI: 10.7270/Q2000425
					More data for this Ligand-Target Pair

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