Compile Data Set for Download or QSAR

Found 207 hits with Last Name = 'sakimura' and Initial = 'k'   

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
Oxytocin receptor (Homo sapiens (Human))	BDBM50240593 (CHEMBL4072133) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N14O12S2/c1-22(2)17-27(36(63)50-20-34(46)61)55-41(68)31-6-4-15-57(31)42(69)30-21-71-70-16-13-35(62)51-28(18-23-7-9-24(58)10-8-23)39(66)52-25(5-3-14-49-43(47)48)37(64)53-26(11-12-32(44)59)38(65)54-29(19-33(45)60)40(67)56-30/h7-10,22,25-31,58H,3-6,11-21H2,1-2H3,(H2,44,59)(H2,45,60)(H2,46,61)(H,50,63)(H,51,62)(H,52,66)(H,53,64)(H,54,65)(H,55,68)(H,56,67)(H4,47,48,49)/t25-,26-,27-,28-,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240594 (CHEMBL4091483) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C40H59N11O13S2/c1-20(2)14-24(34(58)44-17-32(43)56)48-39(63)29-4-3-12-51(29)40(64)28-19-66-65-13-11-33(57)45-25(15-21-5-7-22(53)8-6-21)36(60)49-27(18-52)38(62)46-23(9-10-30(41)54)35(59)47-26(16-31(42)55)37(61)50-28/h5-8,20,23-29,52-53H,3-4,9-19H2,1-2H3,(H2,41,54)(H2,42,55)(H2,43,56)(H,44,58)(H,45,57)(H,46,62)(H,47,59)(H,48,63)(H,49,60)(H,50,61)/t23-,24-,25-,26-,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240595 (CHEMBL4070577) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C46H63N11O12S2/c1-25(2)19-30(40(63)50-23-38(49)61)55-45(68)35-9-6-17-57(35)46(69)34-24-71-70-18-16-39(62)51-31(21-27-10-12-28(58)13-11-27)42(65)53-32(20-26-7-4-3-5-8-26)43(66)52-29(14-15-36(47)59)41(64)54-33(22-37(48)60)44(67)56-34/h3-5,7-8,10-13,25,29-35,58H,6,9,14-24H2,1-2H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,63)(H,51,62)(H,52,66)(H,53,65)(H,54,64)(H,55,68)(H,56,67)/t29-,30-,31-,32-,33-,34-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.110	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240596 (CHEMBL4061946) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C40H59N11O12S2/c1-20(2)15-25(35(58)44-18-32(43)55)49-39(62)29-5-4-13-51(29)40(63)28-19-65-64-14-12-33(56)46-26(16-22-6-8-23(52)9-7-22)37(60)45-21(3)34(57)47-24(10-11-30(41)53)36(59)48-27(17-31(42)54)38(61)50-28/h6-9,20-21,24-29,52H,4-5,10-19H2,1-3H3,(H2,41,53)(H2,42,54)(H2,43,55)(H,44,58)(H,45,60)(H,46,56)(H,47,57)(H,48,59)(H,49,62)(H,50,61)/t21-,24-,25-,26-,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.40	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240597 (CHEMBL4073298) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C40H68N14O11S2/c1-5-21(4)32-38(64)49-23(10-11-28(41)55)34(60)50-25(17-29(42)56)36(62)52-26(19-67-66-15-12-31(58)48-22(35(61)53-32)8-6-13-46-40(44)45)39(65)54-14-7-9-27(54)37(63)51-24(16-20(2)3)33(59)47-18-30(43)57/h20-27,32H,5-19H2,1-4H3,(H2,41,55)(H2,42,56)(H2,43,57)(H,47,59)(H,48,58)(H,49,64)(H,50,60)(H,51,63)(H,52,62)(H,53,61)(H4,44,45,46)/t21-,22-,23-,24-,25-,26-,27-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240598 (CHEMBL4100142) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C39H63N11O13S2/c1-5-20(4)32-38(62)45-22(8-10-27(40)51)34(58)46-24(16-28(41)52)36(60)48-25(18-65-64-14-12-30(54)44-21(35(59)49-32)9-11-31(55)56)39(63)50-13-6-7-26(50)37(61)47-23(15-19(2)3)33(57)43-17-29(42)53/h19-26,32H,5-18H2,1-4H3,(H2,40,51)(H2,41,52)(H2,42,53)(H,43,57)(H,44,54)(H,45,62)(H,46,58)(H,47,61)(H,48,60)(H,49,59)(H,55,56)/t20-,21-,22-,23-,24-,25-,26-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240599 (CHEMBL4064711) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C37H61N11O12S2/c1-5-19(4)30-36(59)43-20(8-9-26(38)50)32(55)44-22(14-27(39)51)33(56)46-24(17-62-61-12-10-29(53)42-23(16-49)34(57)47-30)37(60)48-11-6-7-25(48)35(58)45-21(13-18(2)3)31(54)41-15-28(40)52/h18-25,30,49H,5-17H2,1-4H3,(H2,38,50)(H2,39,51)(H2,40,52)(H,41,54)(H,42,53)(H,43,59)(H,44,55)(H,45,58)(H,46,56)(H,47,57)/t19-,20-,21-,22-,23-,24-,25-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240600 (CHEMBL4092407) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H65N11O11S2/c1-5-24(4)36-42(64)49-26(13-14-32(44)55)38(60)50-29(20-33(45)56)39(61)52-30(22-67-66-17-15-35(58)48-28(40(62)53-36)19-25-10-7-6-8-11-25)43(65)54-16-9-12-31(54)41(63)51-27(18-23(2)3)37(59)47-21-34(46)57/h6-8,10-11,23-24,26-31,36H,5,9,12-22H2,1-4H3,(H2,44,55)(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,64)(H,50,60)(H,51,63)(H,52,61)(H,53,62)/t24-,26-,27-,28-,29-,30-,31-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	0.190	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240601 (CHEMBL4102595) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C40H67N11O11S2/c1-7-22(6)33-39(61)46-23(10-11-29(41)52)35(57)47-26(17-30(42)53)36(58)49-27(19-64-63-14-12-32(55)45-25(16-21(4)5)37(59)50-33)40(62)51-13-8-9-28(51)38(60)48-24(15-20(2)3)34(56)44-18-31(43)54/h20-28,33H,7-19H2,1-6H3,(H2,41,52)(H2,42,53)(H2,43,54)(H,44,56)(H,45,55)(H,46,61)(H,47,57)(H,48,60)(H,49,58)(H,50,59)/t22-,23-,24-,25-,26-,27-,28-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240602 (CHEMBL4084654) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C37H61N11O11S2/c1-6-19(4)30-36(58)43-21(9-10-26(38)49)33(55)44-23(15-27(39)50)34(56)46-24(17-61-60-13-11-29(52)42-20(5)31(53)47-30)37(59)48-12-7-8-25(48)35(57)45-22(14-18(2)3)32(54)41-16-28(40)51/h18-25,30H,6-17H2,1-5H3,(H2,38,49)(H2,39,50)(H2,40,51)(H,41,54)(H,42,52)(H,43,58)(H,44,55)(H,45,57)(H,46,56)(H,47,53)/t19-,20-,21-,22-,23-,24-,25-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240603 (CHEMBL4072207) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H68N12O13/c1-6-23(2)37-43(69)52-26(13-14-32(46)59)39(65)53-28(19-33(47)60)40(66)55-30(21-49-35(62)15-16-36(63)51-27(41(67)56-37)18-24-9-11-25(58)12-10-24)44(70)57-17-7-8-31(57)42(68)54-29(20-45(3,4)5)38(64)50-22-34(48)61/h9-12,23,26-31,37,58H,6-8,13-22H2,1-5H3,(H2,46,59)(H2,47,60)(H2,48,61)(H,49,62)(H,50,64)(H,51,63)(H,52,69)(H,53,65)(H,54,68)(H,55,66)(H,56,67)/t23-,26-,27-,28-,29-,30-,31-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.260	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240604 (CHEMBL4092971) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NNC(N)=O |r| Show InChI InChI=1S/C43H65N13O14/c1-5-21(4)35-41(68)49-25(10-11-31(44)59)36(63)50-28(17-32(45)60)37(64)52-29(18-47-33(61)12-13-34(62)48-27(38(65)53-35)15-22-6-8-23(57)9-7-22)42(69)56-19-24(58)16-30(56)40(67)51-26(14-20(2)3)39(66)54-55-43(46)70/h6-9,20-21,24-30,35,57-58H,5,10-19H2,1-4H3,(H2,44,59)(H2,45,60)(H,47,61)(H,48,62)(H,49,68)(H,50,63)(H,51,67)(H,52,64)(H,53,65)(H,54,66)(H3,46,55,70)/t21-,24+,25-,26-,27-,28-,29-,30-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0310	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240607 (CHEMBL4093931) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H66N12O14/c1-5-22(4)37-43(69)51-26(10-11-32(45)59)39(65)52-29(17-33(46)60)40(66)54-30(18-48-35(62)12-13-36(63)50-28(41(67)55-37)15-23-6-8-24(57)9-7-23)44(70)56-20-25(58)16-31(56)42(68)53-27(14-21(2)3)38(64)49-19-34(47)61/h6-9,21-22,25-31,37,57-58H,5,10-20H2,1-4H3,(H2,45,59)(H2,46,60)(H2,47,61)(H,48,62)(H,49,64)(H,50,63)(H,51,69)(H,52,65)(H,53,68)(H,54,66)(H,55,67)/t22-,25+,26-,27-,28-,29-,30-,31-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0130	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240610 (CHEMBL4101658) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H69N11O12S/c1-6-24(2)37-43(67)51-27(15-16-33(46)58)39(63)52-29(20-34(47)59)40(64)54-31(23-69-18-8-10-36(61)50-28(41(65)55-37)19-25-11-13-26(57)14-12-25)44(68)56-17-7-9-32(56)42(66)53-30(21-45(3,4)5)38(62)49-22-35(48)60/h11-14,24,27-32,37,57H,6-10,15-23H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,61)(H,51,67)(H,52,63)(H,53,66)(H,54,64)(H,55,65)/t24-,27-,28-,29-,30-,31-,32-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.00700	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240613 (CHEMBL4074974) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H67N11O13S/c1-5-23(4)37-43(67)50-27(12-13-33(45)58)39(63)51-30(18-34(46)59)40(64)53-31(21-69-14-6-7-36(61)49-29(41(65)54-37)16-24-8-10-25(56)11-9-24)44(68)55-20-26(57)17-32(55)42(66)52-28(15-22(2)3)38(62)48-19-35(47)60/h8-11,22-23,26-32,37,56-57H,5-7,12-21H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,62)(H,49,61)(H,50,67)(H,51,63)(H,52,66)(H,53,64)(H,54,65)/t23-,26+,27-,28-,29-,30-,31-,32-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.00500	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240615 (CHEMBL3246917) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCNC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C44H66N12O13/c1-5-23(4)37-43(68)51-26(12-13-32(45)58)39(64)52-29(19-33(46)59)40(65)54-30(20-36(62)48-15-14-35(61)50-28(41(66)55-37)18-24-8-10-25(57)11-9-24)44(69)56-16-6-7-31(56)42(67)53-27(17-22(2)3)38(63)49-21-34(47)60/h8-11,22-23,26-31,37,57H,5-7,12-21H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,62)(H,49,63)(H,50,61)(H,51,68)(H,52,64)(H,53,67)(H,54,65)(H,55,66)/t23-,26-,27-,28-,29-,30-,31-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240616 (CHEMBL4086714) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C44H67N11O12S2/c1-6-23(4)36-43(66)50-27(13-14-33(45)57)38(61)51-30(20-34(46)58)40(63)53-31(21-69-68-17-15-35(59)49-29(41(64)54-36)19-25-9-11-26(56)12-10-25)44(67)55-16-7-8-32(55)42(65)52-28(18-22(2)3)39(62)48-24(5)37(47)60/h9-12,22-24,27-32,36,56H,6-8,13-21H2,1-5H3,(H2,45,57)(H2,46,58)(H2,47,60)(H,48,62)(H,49,59)(H,50,66)(H,51,61)(H,52,65)(H,53,63)(H,54,64)/t23-,24-,27-,28-,29-,30-,31-,32-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240617 (CHEMBL4061446) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C47H73N11O12S2/c1-7-26(6)39-46(69)52-29(14-15-36(48)60)41(64)54-33(22-37(49)61)43(66)56-34(23-72-71-18-16-38(62)51-32(44(67)57-39)21-27-10-12-28(59)13-11-27)47(70)58-17-8-9-35(58)45(68)55-31(20-25(4)5)42(65)53-30(40(50)63)19-24(2)3/h10-13,24-26,29-35,39,59H,7-9,14-23H2,1-6H3,(H2,48,60)(H2,49,61)(H2,50,63)(H,51,62)(H,52,69)(H,53,65)(H,54,64)(H,55,68)(H,56,66)(H,57,67)/t26-,29-,30-,31-,32-,33-,34-,35-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240623 (CHEMBL4094014) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C46H69N11O14S2/c1-5-24(4)38-45(70)52-28(12-14-34(47)59)40(65)53-31(21-35(48)60)42(67)55-32(22-73-72-18-16-36(61)50-30(43(68)56-38)20-25-8-10-26(58)11-9-25)46(71)57-17-6-7-33(57)44(69)54-29(19-23(2)3)41(66)51-27(39(49)64)13-15-37(62)63/h8-11,23-24,27-33,38,58H,5-7,12-22H2,1-4H3,(H2,47,59)(H2,48,60)(H2,49,64)(H,50,61)(H,51,66)(H,52,70)(H,53,65)(H,54,69)(H,55,67)(H,56,68)(H,62,63)/t24-,27-,28-,29-,30-,31-,32-,33-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.5	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50240626 (CHEMBL4099102) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C47H74N14O12S2/c1-5-25(4)38-45(72)56-29(14-15-35(48)63)40(67)57-32(22-36(49)64)42(69)59-33(23-75-74-19-16-37(65)54-31(43(70)60-38)21-26-10-12-27(62)13-11-26)46(73)61-18-7-9-34(61)44(71)58-30(20-24(2)3)41(68)55-28(39(50)66)8-6-17-53-47(51)52/h10-13,24-25,28-34,38,62H,5-9,14-23H2,1-4H3,(H2,48,63)(H2,49,64)(H2,50,66)(H,54,65)(H,55,68)(H,56,72)(H,57,67)(H,58,71)(H,59,69)(H,60,70)(H4,51,52,53)/t25-,28-,29-,30-,31-,32-,33-,34-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.530	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50147625 (CHEBI:16136 | SULFUR, PRECIPITATED) Show SMILES S Show InChI InChI=1S/H2S/h1H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.120	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50044676 (CHEMBL439044) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC Show InChI InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240627 (CHEMBL4073891) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C42H61N11O14S2/c1-3-21(2)35-41(66)49-25(10-12-30(43)55)37(62)50-27(18-31(44)56)38(63)51-28(20-69-68-16-14-33(58)47-26(39(64)52-35)17-22-6-8-23(54)9-7-22)42(67)53-15-4-5-29(53)40(65)48-24(11-13-34(59)60)36(61)46-19-32(45)57/h6-9,21,24-29,35,54H,3-5,10-20H2,1-2H3,(H2,43,55)(H2,44,56)(H2,45,57)(H,46,61)(H,47,58)(H,48,65)(H,49,66)(H,50,62)(H,51,63)(H,52,64)(H,59,60)/t21-,24-,25-,26-,27-,28-,29-,35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240628 (CHEMBL4094454) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N14O12S2/c1-3-22(2)35-41(68)53-26(12-13-31(44)59)37(64)54-28(19-32(45)60)38(65)55-29(21-71-70-17-14-34(62)51-27(39(66)56-35)18-23-8-10-24(58)11-9-23)42(69)57-16-5-7-30(57)40(67)52-25(6-4-15-49-43(47)48)36(63)50-20-33(46)61/h8-11,22,25-30,35,58H,3-7,12-21H2,1-2H3,(H2,44,59)(H2,45,60)(H2,46,61)(H,50,63)(H,51,62)(H,52,67)(H,53,68)(H,54,64)(H,55,65)(H,56,66)(H4,47,48,49)/t22-,25-,26-,27-,28-,29-,30-,35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.120	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240629 (CHEMBL4084223) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C42H63N11O12S2/c1-5-22(4)35-41(64)48-25(12-13-30(43)55)36(59)49-27(18-31(44)56)37(60)50-28(20-67-66-16-14-33(58)47-26(38(61)52-35)17-23-8-10-24(54)11-9-23)42(65)53-15-6-7-29(53)39(62)51-34(21(2)3)40(63)46-19-32(45)57/h8-11,21-22,25-29,34-35,54H,5-7,12-20H2,1-4H3,(H2,43,55)(H2,44,56)(H2,45,57)(H,46,63)(H,47,58)(H,48,64)(H,49,59)(H,50,60)(H,51,62)(H,52,61)/t22-,25-,26-,27-,28-,29-,34-,35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.10	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240630 (CHEMBL4102192) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C46H69N11O12S2/c1-3-25(2)39-45(68)52-29(15-16-35(47)59)41(64)53-32(22-36(48)60)42(65)55-33(24-71-70-19-17-38(62)51-31(43(66)56-39)21-27-11-13-28(58)14-12-27)46(69)57-18-7-10-34(57)44(67)54-30(40(63)50-23-37(49)61)20-26-8-5-4-6-9-26/h11-14,25-26,29-34,39,58H,3-10,15-24H2,1-2H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,63)(H,51,62)(H,52,68)(H,53,64)(H,54,67)(H,55,65)(H,56,66)/t25-,29-,30-,31-,32-,33-,34-,39-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240631 (CHEMBL4065273) Show SMILES CCCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H69N11O12S2/c1-4-6-7-8-10-28(39(62)49-23-36(48)60)51-43(66)33-11-9-19-56(33)45(68)32-24-70-69-20-18-37(61)50-30(21-26-12-14-27(57)15-13-26)42(65)55-38(25(3)5-2)44(67)52-29(16-17-34(46)58)40(63)53-31(22-35(47)59)41(64)54-32/h12-15,25,28-33,38,57H,4-11,16-24H2,1-3H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,61)(H,51,66)(H,52,67)(H,53,63)(H,54,64)(H,55,65)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240616 (CHEMBL4086714) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C44H67N11O12S2/c1-6-23(4)36-43(66)50-27(13-14-33(45)57)38(61)51-30(20-34(46)58)40(63)53-31(21-69-68-17-15-35(59)49-29(41(64)54-36)19-25-9-11-26(56)12-10-25)44(67)55-16-7-8-32(55)42(65)52-28(18-22(2)3)39(62)48-24(5)37(47)60/h9-12,22-24,27-32,36,56H,6-8,13-21H2,1-5H3,(H2,45,57)(H2,46,58)(H2,47,60)(H,48,62)(H,49,59)(H,50,66)(H,51,61)(H,52,65)(H,53,63)(H,54,64)/t23-,24-,27-,28-,29-,30-,31-,32-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240617 (CHEMBL4061446) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C47H73N11O12S2/c1-7-26(6)39-46(69)52-29(14-15-36(48)60)41(64)54-33(22-37(49)61)43(66)56-34(23-72-71-18-16-38(62)51-32(44(67)57-39)21-27-10-12-28(59)13-11-27)47(70)58-17-8-9-35(58)45(68)55-31(20-25(4)5)42(65)53-30(40(50)63)19-24(2)3/h10-13,24-26,29-35,39,59H,7-9,14-23H2,1-6H3,(H2,48,60)(H2,49,61)(H2,50,63)(H,51,62)(H,52,69)(H,53,65)(H,54,64)(H,55,68)(H,56,66)(H,57,67)/t26-,29-,30-,31-,32-,33-,34-,35-,39-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240623 (CHEMBL4094014) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C46H69N11O14S2/c1-5-24(4)38-45(70)52-28(12-14-34(47)59)40(65)53-31(21-35(48)60)42(67)55-32(22-73-72-18-16-36(61)50-30(43(68)56-38)20-25-8-10-26(58)11-9-25)46(71)57-17-6-7-33(57)44(69)54-29(19-23(2)3)41(66)51-27(39(49)64)13-15-37(62)63/h8-11,23-24,27-33,38,58H,5-7,12-22H2,1-4H3,(H2,47,59)(H2,48,60)(H2,49,64)(H,50,61)(H,51,66)(H,52,70)(H,53,65)(H,54,69)(H,55,67)(H,56,68)(H,62,63)/t24-,27-,28-,29-,30-,31-,32-,33-,38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240626 (CHEMBL4099102) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C47H74N14O12S2/c1-5-25(4)38-45(72)56-29(14-15-35(48)63)40(67)57-32(22-36(49)64)42(69)59-33(23-75-74-19-16-37(65)54-31(43(70)60-38)21-26-10-12-27(62)13-11-26)46(73)61-18-7-9-34(61)44(71)58-30(20-24(2)3)41(68)55-28(39(50)66)8-6-17-53-47(51)52/h10-13,24-25,28-34,38,62H,5-9,14-23H2,1-4H3,(H2,48,63)(H2,49,64)(H2,50,66)(H,54,65)(H,55,68)(H,56,72)(H,57,67)(H,58,71)(H,59,69)(H,60,70)(H4,51,52,53)/t25-,28-,29-,30-,31-,32-,33-,34-,38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50205990 (CHEMBL395429 | OXYTOCIN) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	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 V1b receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50044676 (CHEMBL439044) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC Show InChI InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1b receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50044752 (CHEMBL3353956) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1cccs1)[C@@H](C)CC |r| Show InChI InChI=1S/C45H65N11O12S3/c1-5-25(4)39-44(67)52-29(12-13-34(46)58)41(64)53-32(19-35(47)59)42(65)54-33(23-71-70-16-14-37(61)50-31(43(66)55-39)18-26-8-10-27(57)11-9-26)45(68)56(21-28-7-6-15-69-28)22-38(62)51-30(17-24(2)3)40(63)49-20-36(48)60/h6-11,15,24-25,29-33,39,57H,5,12-14,16-23H2,1-4H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,64)(H,54,65)(H,55,66)/t25-,29-,30-,31-,32-,33-,39-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	75	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1b receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240632 (CHEMBL4070222) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H65N11O13S2/c1-5-22(4)36-42(66)49-26(10-11-32(44)57)38(62)50-29(17-33(45)58)39(63)52-30(20-69-68-13-12-35(60)48-28(40(64)53-36)15-23-6-8-24(55)9-7-23)43(67)54-19-25(56)16-31(54)41(65)51-27(14-21(2)3)37(61)47-18-34(46)59/h6-9,21-22,25-31,36,55-56H,5,10-20H2,1-4H3,(H2,44,57)(H2,45,58)(H2,46,59)(H,47,61)(H,48,60)(H,49,66)(H,50,62)(H,51,65)(H,52,63)(H,53,64)/t22-,25-,26-,27-,28-,29-,30-,31-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.20	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1b receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240633 (CHEMBL4093631) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C41H63N11O12S2/c1-6-22(4)35-40(63)48-25(11-12-30(42)54)37(60)49-28(17-31(43)55)38(61)50-29(41(64)52(5)19-34(58)47-26(15-21(2)3)36(59)45-18-32(44)56)20-66-65-14-13-33(57)46-27(39(62)51-35)16-23-7-9-24(53)10-8-23/h7-10,21-22,25-29,35,53H,6,11-20H2,1-5H3,(H2,42,54)(H2,43,55)(H2,44,56)(H,45,59)(H,46,57)(H,47,58)(H,48,63)(H,49,60)(H,50,61)(H,51,62)/t22-,25-,26-,27-,28-,29-,35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1b receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50044752 (CHEMBL3353956) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1cccs1)[C@@H](C)CC |r| Show InChI InChI=1S/C45H65N11O12S3/c1-5-25(4)39-44(67)52-29(12-13-34(46)58)41(64)53-32(19-35(47)59)42(65)54-33(23-71-70-16-14-37(61)50-31(43(66)55-39)18-26-8-10-27(57)11-9-26)45(68)56(21-28-7-6-15-69-28)22-38(62)51-30(17-24(2)3)40(63)49-20-36(48)60/h6-11,15,24-25,29-33,39,57H,5,12-14,16-23H2,1-4H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,64)(H,54,65)(H,55,66)/t25-,29-,30-,31-,32-,33-,39-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Evaluated for the binding affinity towards the Adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA as radioligand.				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240632 (CHEMBL4070222) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H65N11O13S2/c1-5-22(4)36-42(66)49-26(10-11-32(44)57)38(62)50-29(17-33(45)58)39(63)52-30(20-69-68-13-12-35(60)48-28(40(64)53-36)15-23-6-8-24(55)9-7-23)43(67)54-19-25(56)16-31(54)41(65)51-27(14-21(2)3)37(61)47-18-34(46)59/h6-9,21-22,25-31,36,55-56H,5,10-20H2,1-4H3,(H2,44,57)(H2,45,58)(H2,46,59)(H,47,61)(H,48,60)(H,49,66)(H,50,62)(H,51,65)(H,52,63)(H,53,64)/t22-,25-,26-,27-,28-,29-,30-,31-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240633 (CHEMBL4093631) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C41H63N11O12S2/c1-6-22(4)35-40(63)48-25(11-12-30(42)54)37(60)49-28(17-31(43)55)38(61)50-29(41(64)52(5)19-34(58)47-26(15-21(2)3)36(59)45-18-32(44)56)20-66-65-14-13-33(57)46-27(39(62)51-35)16-23-7-9-24(53)10-8-23/h7-10,21-22,25-29,35,53H,6,11-20H2,1-5H3,(H2,42,54)(H2,43,55)(H2,44,56)(H,45,59)(H,46,57)(H,47,58)(H,48,63)(H,49,60)(H,50,61)(H,51,62)/t22-,25-,26-,27-,28-,29-,35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240634 (CHEMBL4074335) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H67N11O12S2/c1-6-23(2)36-42(66)50-26(13-14-32(45)57)38(62)51-28(19-33(46)58)39(63)53-30(22-69-68-17-15-35(60)49-27(40(64)54-36)18-24-9-11-25(56)12-10-24)43(67)55-16-7-8-31(55)41(65)52-29(20-44(3,4)5)37(61)48-21-34(47)59/h9-12,23,26-31,36,56H,6-8,13-22H2,1-5H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,60)(H,50,66)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240635 (CHEMBL4075102) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(N)=O |r| Show InChI InChI=1S/C44H67N11O12S2/c1-6-24(4)37-42(65)49-27(13-14-33(45)57)38(61)50-29(20-34(46)58)39(62)52-31(22-69-68-17-15-36(60)48-28(40(63)53-37)19-25-9-11-26(56)12-10-25)44(67)55-16-7-8-32(55)41(64)51-30(18-23(2)3)43(66)54(5)21-35(47)59/h9-12,23-24,27-32,37,56H,6-8,13-22H2,1-5H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,60)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t24-,27-,28-,29-,30-,31-,32-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240636 (CHEMBL4104080) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NNC(N)=O |r| Show InChI InChI=1S/C42H64N12O12S2/c1-5-22(4)34-40(64)47-25(12-13-31(43)56)35(59)48-28(19-32(44)57)36(60)50-29(20-68-67-16-14-33(58)46-27(37(61)51-34)18-23-8-10-24(55)11-9-23)41(65)54-15-6-7-30(54)39(63)49-26(17-21(2)3)38(62)52-53-42(45)66/h8-11,21-22,25-30,34,55H,5-7,12-20H2,1-4H3,(H2,43,56)(H2,44,57)(H,46,58)(H,47,64)(H,48,59)(H,49,63)(H,50,60)(H,51,61)(H,52,62)(H3,45,53,66)/t22-,25-,26-,27-,28-,29-,30-,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240637 (CHEMBL4096331) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H66N12O13/c1-5-23(4)37-43(68)51-26(12-13-32(45)58)39(64)52-29(19-33(46)59)40(65)54-30(20-48-35(61)14-15-36(62)50-28(41(66)55-37)18-24-8-10-25(57)11-9-24)44(69)56-16-6-7-31(56)42(67)53-27(17-22(2)3)38(63)49-21-34(47)60/h8-11,22-23,26-31,37,57H,5-7,12-21H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,61)(H,49,63)(H,50,62)(H,51,68)(H,52,64)(H,53,67)(H,54,65)(H,55,66)/t23-,26-,27-,28-,29-,30-,31-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240615 (CHEMBL3246917) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCNC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C44H66N12O13/c1-5-23(4)37-43(68)51-26(12-13-32(45)58)39(64)52-29(19-33(46)59)40(65)54-30(20-36(62)48-15-14-35(61)50-28(41(66)55-37)18-24-8-10-25(57)11-9-24)44(69)56-16-6-7-31(56)42(67)53-27(17-22(2)3)38(63)49-21-34(47)60/h8-11,22-23,26-31,37,57H,5-7,12-21H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,62)(H,49,63)(H,50,61)(H,51,68)(H,52,64)(H,53,67)(H,54,65)(H,55,66)/t23-,26-,27-,28-,29-,30-,31-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240613 (CHEMBL4074974) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H67N11O13S/c1-5-23(4)37-43(67)50-27(12-13-33(45)58)39(63)51-30(18-34(46)59)40(64)53-31(21-69-14-6-7-36(61)49-29(41(65)54-37)16-24-8-10-25(56)11-9-24)44(68)55-20-26(57)17-32(55)42(66)52-28(15-22(2)3)38(62)48-19-35(47)60/h8-11,22-23,26-32,37,56-57H,5-7,12-21H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,62)(H,49,61)(H,50,67)(H,51,63)(H,52,66)(H,53,64)(H,54,65)/t23-,26+,27-,28-,29-,30-,31-,32-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240638 (CHEMBL4066368) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CC(C)(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H69N11O13S/c1-6-23(2)37-43(68)51-27(13-14-33(46)59)39(64)52-29(18-34(47)60)40(65)54-31(22-70-15-7-8-36(62)50-28(41(66)55-37)16-24-9-11-25(57)12-10-24)44(69)56-21-26(58)17-32(56)42(67)53-30(19-45(3,4)5)38(63)49-20-35(48)61/h9-12,23,26-32,37,57-58H,6-8,13-22H2,1-5H3,(H2,46,59)(H2,47,60)(H2,48,61)(H,49,63)(H,50,62)(H,51,68)(H,52,64)(H,53,67)(H,54,65)(H,55,66)/t23-,26+,27-,28-,29-,30-,31-,32-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240607 (CHEMBL4093931) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H66N12O14/c1-5-22(4)37-43(69)51-26(10-11-32(45)59)39(65)52-29(17-33(46)60)40(66)54-30(18-48-35(62)12-13-36(63)50-28(41(67)55-37)15-23-6-8-24(57)9-7-23)44(70)56-20-25(58)16-31(56)42(68)53-27(14-21(2)3)38(64)49-19-34(47)61/h6-9,21-22,25-31,37,57-58H,5,10-20H2,1-4H3,(H2,45,59)(H2,46,60)(H2,47,61)(H,48,62)(H,49,64)(H,50,63)(H,51,69)(H,52,65)(H,53,68)(H,54,66)(H,55,67)/t22-,25+,26-,27-,28-,29-,30-,31-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240604 (CHEMBL4092971) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NNC(N)=O |r| Show InChI InChI=1S/C43H65N13O14/c1-5-21(4)35-41(68)49-25(10-11-31(44)59)36(63)50-28(17-32(45)60)37(64)52-29(18-47-33(61)12-13-34(62)48-27(38(65)53-35)15-22-6-8-23(57)9-7-22)42(69)56-19-24(58)16-30(56)40(67)51-26(14-20(2)3)39(66)54-55-43(46)70/h6-9,20-21,24-30,35,57-58H,5,10-19H2,1-4H3,(H2,44,59)(H2,45,60)(H,47,61)(H,48,62)(H,49,68)(H,50,63)(H,51,67)(H,52,64)(H,53,65)(H,54,66)(H3,46,55,70)/t21-,24+,25-,26-,27-,28-,29-,30-,35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240602 (CHEMBL4084654) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C37H61N11O11S2/c1-6-19(4)30-36(58)43-21(9-10-26(38)49)33(55)44-23(15-27(39)50)34(56)46-24(17-61-60-13-11-29(52)42-20(5)31(53)47-30)37(59)48-12-7-8-25(48)35(57)45-22(14-18(2)3)32(54)41-16-28(40)51/h18-25,30H,6-17H2,1-5H3,(H2,38,49)(H2,39,50)(H2,40,51)(H,41,54)(H,42,52)(H,43,58)(H,44,55)(H,45,57)(H,46,56)(H,47,53)/t19-,20-,21-,22-,23-,24-,25-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240601 (CHEMBL4102595) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C40H67N11O11S2/c1-7-22(6)33-39(61)46-23(10-11-29(41)52)35(57)47-26(17-30(42)53)36(58)49-27(19-64-63-14-12-32(55)45-25(16-21(4)5)37(59)50-33)40(62)51-13-8-9-28(51)38(60)48-24(15-20(2)3)34(56)44-18-31(43)54/h20-28,33H,7-19H2,1-6H3,(H2,41,52)(H2,42,53)(H2,43,54)(H,44,56)(H,45,55)(H,46,61)(H,47,57)(H,48,60)(H,49,58)(H,50,59)/t22-,23-,24-,25-,26-,27-,28-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair

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