Compile Data Set for Download or QSAR

Found 195 hits with Last Name = 'gulliver' and Initial = 'dw'   

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))	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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139178 (CHEMBL3763342) Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139178 (CHEMBL3763342) Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50139178 (CHEMBL3763342) Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader method				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139179 (CHEMBL3763951) Show SMILES COc1cc(CN2CCN(CC2)C(=O)NCc2ccc(cc2C)C(=O)N2Cc3cnn(C)c3Nc3ccccc23)cc(OC)c1 Show InChI InChI=1S/C34H39N7O4/c1-23-15-25(33(42)41-22-27-20-36-38(2)32(27)37-30-7-5-6-8-31(30)41)9-10-26(23)19-35-34(43)40-13-11-39(12-14-40)21-24-16-28(44-3)18-29(17-24)45-4/h5-10,15-18,20,37H,11-14,19,21-22H2,1-4H3,(H,35,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139179 (CHEMBL3763951) Show SMILES COc1cc(CN2CCN(CC2)C(=O)NCc2ccc(cc2C)C(=O)N2Cc3cnn(C)c3Nc3ccccc23)cc(OC)c1 Show InChI InChI=1S/C34H39N7O4/c1-23-15-25(33(42)41-22-27-20-36-38(2)32(27)37-30-7-5-6-8-31(30)41)9-10-26(23)19-35-34(43)40-13-11-39(12-14-40)21-24-16-28(44-3)18-29(17-24)45-4/h5-10,15-18,20,37H,11-14,19,21-22H2,1-4H3,(H,35,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139373 (CHEMBL3763823) Show SMILES Cn1ncc2CN(C(=O)CCCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(39)11-5-3-2-4-8-12-34-13-15-35(16-14-34)21-23-17-25(37)19-26(38)18-23/h6-7,9-10,17-20,32,37-38H,2-5,8,11-16,21-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139373 (CHEMBL3763823) Show SMILES Cn1ncc2CN(C(=O)CCCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(39)11-5-3-2-4-8-12-34-13-15-35(16-14-34)21-23-17-25(37)19-26(38)18-23/h6-7,9-10,17-20,32,37-38H,2-5,8,11-16,21-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139178 (CHEMBL3763342) Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader method				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139183 (CHEMBL3763217) Show SMILES Cn1ncc2CN(C(=O)CCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C29H38N6O3/c1-32-29-23(19-30-32)21-35(27-9-6-5-8-26(27)31-29)28(38)10-4-2-3-7-11-33-12-14-34(15-13-33)20-22-16-24(36)18-25(37)17-22/h5-6,8-9,16-19,31,36-37H,2-4,7,10-15,20-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139176 (CHEMBL3763174) Show SMILES COc1cc(CN2CCN(CCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1 Show InChI InChI=1S/C31H42N6O3/c1-34-31-25(21-32-34)23-37(29-11-8-7-10-28(29)33-31)30(38)12-6-4-5-9-13-35-14-16-36(17-15-35)22-24-18-26(39-2)20-27(19-24)40-3/h7-8,10-11,18-21,33H,4-6,9,12-17,22-23H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139176 (CHEMBL3763174) Show SMILES COc1cc(CN2CCN(CCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1 Show InChI InChI=1S/C31H42N6O3/c1-34-31-25(21-32-34)23-37(29-11-8-7-10-28(29)33-31)30(38)12-6-4-5-9-13-35-14-16-36(17-15-35)22-24-18-26(39-2)20-27(19-24)40-3/h7-8,10-11,18-21,33H,4-6,9,12-17,22-23H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50139178 (CHEMBL3763342) Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50139178 (CHEMBL3763342) Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139177 (CHEMBL3765689) Show SMILES COc1cc(CN2CCN(CCCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1 Show InChI InChI=1S/C32H44N6O3/c1-35-32-26(22-33-35)24-38(30-12-9-8-11-29(30)34-32)31(39)13-7-5-4-6-10-14-36-15-17-37(18-16-36)23-25-19-27(40-2)21-28(20-25)41-3/h8-9,11-12,19-22,34H,4-7,10,13-18,23-24H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	248	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50283980 (CHEMBL4166008) Show SMILES Cn1ncc2CN(C(=O)CCc3ccccc3N3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C31H34N6O3/c1-34-31-24(19-32-34)21-37(29-9-5-3-7-27(29)33-31)30(40)11-10-23-6-2-4-8-28(23)36-14-12-35(13-15-36)20-22-16-25(38)18-26(39)17-22/h2-9,16-19,33,38-39H,10-15,20-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139146 (CHEMBL3765356) Show SMILES COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1 Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(37)11-5-4-8-12-34-13-15-35(16-14-34)21-23-17-25(38-2)19-26(18-23)39-3/h6-7,9-10,17-20,32H,4-5,8,11-16,21-22H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	266	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139138 (CHEMBL3763620) Show SMILES COc1cc(CN2CCN(CCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1 Show InChI InChI=1S/C29H38N6O3/c1-32-29-23(19-30-32)21-35(27-9-5-4-8-26(27)31-29)28(36)10-6-7-11-33-12-14-34(15-13-33)20-22-16-24(37-2)18-25(17-22)38-3/h4-5,8-9,16-19,31H,6-7,10-15,20-21H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	409	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139182 (CHEMBL3765525) Show SMILES Cn1ncc2CN(C(=O)CCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C28H36N6O3/c1-31-28-22(18-29-31)20-34(26-8-5-4-7-25(26)30-28)27(37)9-3-2-6-10-32-11-13-33(14-12-32)19-21-15-23(35)17-24(36)16-21/h4-5,7-8,15-18,30,35-36H,2-3,6,9-14,19-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	449	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader method				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139180 (CHEMBL3764572) Show SMILES Cn1ncc2CN(C(=O)CCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C27H34N6O3/c1-30-27-21(17-28-30)19-33(25-7-3-2-6-24(25)29-27)26(36)8-4-5-9-31-10-12-32(13-11-31)18-20-14-22(34)16-23(35)15-20/h2-3,6-7,14-17,29,34-35H,4-5,8-13,18-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	466	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50283972 (CHEMBL4162565) Show SMILES Cn1ncc2CN(C(=O)Cc3cccc(c3)N3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C30H32N6O3/c1-33-30-23(18-31-33)20-36(28-8-3-2-7-27(28)32-30)29(39)16-21-5-4-6-24(13-21)35-11-9-34(10-12-35)19-22-14-25(37)17-26(38)15-22/h2-8,13-15,17-18,32,37-38H,9-12,16,19-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	643	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50283952 (CHEMBL4173250) Show SMILES Cn1ncc2CN(C(=O)Cc3ccc(cc3)N3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C30H32N6O3/c1-33-30-23(18-31-33)20-36(28-5-3-2-4-27(28)32-30)29(39)16-21-6-8-24(9-7-21)35-12-10-34(11-13-35)19-22-14-25(37)17-26(38)15-22/h2-9,14-15,17-18,32,37-38H,10-13,16,19-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	795	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50139179 (CHEMBL3763951) Show SMILES COc1cc(CN2CCN(CC2)C(=O)NCc2ccc(cc2C)C(=O)N2Cc3cnn(C)c3Nc3ccccc23)cc(OC)c1 Show InChI InChI=1S/C34H39N7O4/c1-23-15-25(33(42)41-22-27-20-36-38(2)32(27)37-30-7-5-6-8-31(30)41)9-10-26(23)19-35-34(43)40-13-11-39(12-14-40)21-24-16-28(44-3)18-29(17-24)45-4/h5-10,15-18,20,37H,11-14,19,21-22H2,1-4H3,(H,35,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	801	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50139179 (CHEMBL3763951) Show SMILES COc1cc(CN2CCN(CC2)C(=O)NCc2ccc(cc2C)C(=O)N2Cc3cnn(C)c3Nc3ccccc23)cc(OC)c1 Show InChI InChI=1S/C34H39N7O4/c1-23-15-25(33(42)41-22-27-20-36-38(2)32(27)37-30-7-5-6-8-31(30)41)9-10-26(23)19-35-34(43)40-13-11-39(12-14-40)21-24-16-28(44-3)18-29(17-24)45-4/h5-10,15-18,20,37H,11-14,19,21-22H2,1-4H3,(H,35,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	801	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50283978 (CHEMBL4176616) Show SMILES Cn1ncc2CN(C(=O)CCc3cccc(c3)N3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C31H34N6O3/c1-34-31-24(19-32-34)21-37(29-8-3-2-7-28(29)33-31)30(40)10-9-22-5-4-6-25(15-22)36-13-11-35(12-14-36)20-23-16-26(38)18-27(39)17-23/h2-8,15-19,33,38-39H,9-14,20-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	874	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50283982 (CHEMBL4159182) Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2CCC(=O)N2Cc3cnn(C)c3Nc3ccccc23)cc(OC)c1 Show InChI InChI=1S/C33H38N6O3/c1-36-33-26(21-34-36)23-39(31-11-7-5-9-29(31)35-33)32(40)13-12-25-8-4-6-10-30(25)38-16-14-37(15-17-38)22-24-18-27(41-2)20-28(19-24)42-3/h4-11,18-21,35H,12-17,22-23H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50283985 (CHEMBL4169435) Show SMILES Cn1ncc2CN(C(=O)CCc3ccc(cc3)N3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C31H34N6O3/c1-34-31-24(19-32-34)21-37(29-5-3-2-4-28(29)33-31)30(40)11-8-22-6-9-25(10-7-22)36-14-12-35(13-15-36)20-23-16-26(38)18-27(39)17-23/h2-7,9-10,16-19,33,38-39H,8,11-15,20-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50283983 (CHEMBL4169830) Show SMILES COc1cc(CN2CCN(CC2)c2ccc(CC(=O)N3Cc4cnn(C)c4Nc4ccccc34)cc2)cc(OC)c1 Show InChI InChI=1S/C32H36N6O3/c1-35-32-25(20-33-35)22-38(30-7-5-4-6-29(30)34-32)31(39)18-23-8-10-26(11-9-23)37-14-12-36(13-15-37)21-24-16-27(40-2)19-28(17-24)41-3/h4-11,16-17,19-20,34H,12-15,18,21-22H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50283979 (CHEMBL4169825) Show SMILES Cn1ncc2CN(C(=O)Cc3ccccc3N3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C30H32N6O3/c1-33-30-23(18-31-33)20-36(28-9-5-3-7-26(28)32-30)29(39)16-22-6-2-4-8-27(22)35-12-10-34(11-13-35)19-21-14-24(37)17-25(38)15-21/h2-9,14-15,17-18,32,37-38H,10-13,16,19-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50283984 (CHEMBL4162568) Show SMILES COc1cc(CN2CCN(CC2)c2cccc(CC(=O)N3Cc4cnn(C)c4Nc4ccccc34)c2)cc(OC)c1 Show InChI InChI=1S/C32H36N6O3/c1-35-32-25(20-33-35)22-38(30-10-5-4-9-29(30)34-32)31(39)18-23-7-6-8-26(15-23)37-13-11-36(12-14-37)21-24-16-27(40-2)19-28(17-24)41-3/h4-10,15-17,19-20,34H,11-14,18,21-22H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50283981 (CHEMBL4161507) Show SMILES COc1cc(CN2CCN(CC2)c2cccc(CCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)c2)cc(OC)c1 Show InChI InChI=1S/C33H38N6O3/c1-36-33-26(21-34-36)23-39(31-10-5-4-9-30(31)35-33)32(40)12-11-24-7-6-8-27(17-24)38-15-13-37(14-16-38)22-25-18-28(41-2)20-29(19-25)42-3/h4-10,17-21,35H,11-16,22-23H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50283955 (CHEMBL4169437) Show SMILES COc1cc(CN2CCN(CC2)c2ccc(CCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)cc2)cc(OC)c1 Show InChI InChI=1S/C33H38N6O3/c1-36-33-26(21-34-36)23-39(31-7-5-4-6-30(31)35-33)32(40)13-10-24-8-11-27(12-9-24)38-16-14-37(15-17-38)22-25-18-28(41-2)20-29(19-25)42-3/h4-9,11-12,18-21,35H,10,13-17,22-23H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50283951 (CHEMBL4173255) Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2CC(=O)N2Cc3cnn(C)c3Nc3ccccc23)cc(OC)c1 Show InChI InChI=1S/C32H36N6O3/c1-35-32-25(20-33-35)22-38(30-11-7-5-9-28(30)34-32)31(39)18-24-8-4-6-10-29(24)37-14-12-36(13-15-37)21-23-16-26(40-2)19-27(17-23)41-3/h4-11,16-17,19-20,34H,12-15,18,21-22H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50139146 (CHEMBL3765356) Show SMILES COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1 Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(37)11-5-4-8-12-34-13-15-35(16-14-34)21-23-17-25(38-2)19-26(18-23)39-3/h6-7,9-10,17-20,32H,4-5,8,11-16,21-22H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50139373 (CHEMBL3763823) Show SMILES Cn1ncc2CN(C(=O)CCCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(39)11-5-3-2-4-8-12-34-13-15-35(16-14-34)21-23-17-25(37)19-26(38)18-23/h6-7,9-10,17-20,32,37-38H,2-5,8,11-16,21-22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50139373 (CHEMBL3763823) Show SMILES Cn1ncc2CN(C(=O)CCCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(39)11-5-3-2-4-8-12-34-13-15-35(16-14-34)21-23-17-25(37)19-26(38)18-23/h6-7,9-10,17-20,32,37-38H,2-5,8,11-16,21-22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50283982 (CHEMBL4159182) Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2CCC(=O)N2Cc3cnn(C)c3Nc3ccccc23)cc(OC)c1 Show InChI InChI=1S/C33H38N6O3/c1-36-33-26(21-34-36)23-39(31-11-7-5-9-29(31)35-33)32(40)13-12-25-8-4-6-10-30(25)38-16-14-37(15-17-38)22-24-18-27(41-2)20-28(19-24)42-3/h4-11,18-21,35H,12-17,22-23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50283955 (CHEMBL4169437) Show SMILES COc1cc(CN2CCN(CC2)c2ccc(CCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)cc2)cc(OC)c1 Show InChI InChI=1S/C33H38N6O3/c1-36-33-26(21-34-36)23-39(31-7-5-4-6-30(31)35-33)32(40)13-10-24-8-11-27(12-9-24)38-16-14-37(15-17-38)22-25-18-28(41-2)20-29(19-25)42-3/h4-9,11-12,18-21,35H,10,13-17,22-23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50283978 (CHEMBL4176616) Show SMILES Cn1ncc2CN(C(=O)CCc3cccc(c3)N3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C31H34N6O3/c1-34-31-24(19-32-34)21-37(29-8-3-2-7-28(29)33-31)30(40)10-9-22-5-4-6-25(15-22)36-13-11-35(12-14-36)20-23-16-26(38)18-27(39)17-23/h2-8,15-19,33,38-39H,9-14,20-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50283985 (CHEMBL4169435) Show SMILES Cn1ncc2CN(C(=O)CCc3ccc(cc3)N3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C31H34N6O3/c1-34-31-24(19-32-34)21-37(29-5-3-2-4-28(29)33-31)30(40)11-8-22-6-9-25(10-7-22)36-14-12-35(13-15-36)20-23-16-26(38)18-27(39)17-23/h2-7,9-10,16-19,33,38-39H,8,11-15,20-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50283981 (CHEMBL4161507) Show SMILES COc1cc(CN2CCN(CC2)c2cccc(CCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)c2)cc(OC)c1 Show InChI InChI=1S/C33H38N6O3/c1-36-33-26(21-34-36)23-39(31-10-5-4-9-30(31)35-33)32(40)12-11-24-7-6-8-27(17-24)38-15-13-37(14-16-38)22-25-18-28(41-2)20-29(19-25)42-3/h4-10,17-21,35H,11-16,22-23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50283951 (CHEMBL4173255) Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2CC(=O)N2Cc3cnn(C)c3Nc3ccccc23)cc(OC)c1 Show InChI InChI=1S/C32H36N6O3/c1-35-32-25(20-33-35)22-38(30-11-7-5-9-28(30)34-32)31(39)18-24-8-4-6-10-29(24)37-14-12-36(13-15-37)21-23-16-26(40-2)19-27(17-23)41-3/h4-11,16-17,19-20,34H,12-15,18,21-22H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50283980 (CHEMBL4166008) Show SMILES Cn1ncc2CN(C(=O)CCc3ccccc3N3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C31H34N6O3/c1-34-31-24(19-32-34)21-37(29-9-5-3-7-27(29)33-31)30(40)11-10-23-6-2-4-8-28(23)36-14-12-35(13-15-36)20-22-16-25(38)18-26(39)17-22/h2-9,16-19,33,38-39H,10-15,20-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50139177 (CHEMBL3765689) Show SMILES COc1cc(CN2CCN(CCCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1 Show InChI InChI=1S/C32H44N6O3/c1-35-32-26(22-33-35)24-38(30-12-9-8-11-29(30)34-32)31(39)13-7-5-4-6-10-14-36-15-17-37(18-16-36)23-25-19-27(40-2)21-28(20-25)41-3/h8-9,11-12,19-22,34H,4-7,10,13-18,23-24H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50283979 (CHEMBL4169825) Show SMILES Cn1ncc2CN(C(=O)Cc3ccccc3N3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C30H32N6O3/c1-33-30-23(18-31-33)20-36(28-9-5-3-7-26(28)32-30)29(39)16-22-6-2-4-8-27(22)35-12-10-34(11-13-35)19-21-14-24(37)17-25(38)15-21/h2-9,14-15,17-18,32,37-38H,10-13,16,19-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50283983 (CHEMBL4169830) Show SMILES COc1cc(CN2CCN(CC2)c2ccc(CC(=O)N3Cc4cnn(C)c4Nc4ccccc34)cc2)cc(OC)c1 Show InChI InChI=1S/C32H36N6O3/c1-35-32-25(20-33-35)22-38(30-7-5-4-6-29(30)34-32)31(39)18-23-8-10-26(11-9-23)37-14-12-36(13-15-37)21-24-16-27(40-2)19-28(17-24)41-3/h4-11,16-17,19-20,34H,12-15,18,21-22H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50282233 (CHEMBL4173036) Show SMILES Cn1nccc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C11H10F3N3O2S/c1-17-10(6-7-15-17)16-20(18,19)9-4-2-8(3-5-9)11(12,13)14/h2-7,16H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta				Eur J Med Chem 136: 330-333 (2017) Article DOI: 10.1016/j.ejmech.2017.05.013 BindingDB Entry DOI: 10.7270/Q2X63QG5
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50139183 (CHEMBL3763217) Show SMILES Cn1ncc2CN(C(=O)CCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C29H38N6O3/c1-32-29-23(19-30-32)21-35(27-9-6-5-8-26(27)31-29)28(38)10-4-2-3-7-11-33-12-14-34(15-13-33)20-22-16-24(36)18-25(37)17-22/h5-6,8-9,16-19,31,36-37H,2-4,7,10-15,20-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50283952 (CHEMBL4173250) Show SMILES Cn1ncc2CN(C(=O)Cc3ccc(cc3)N3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C30H32N6O3/c1-33-30-23(18-31-33)20-36(28-5-3-2-4-27(28)32-30)29(39)16-21-6-8-24(9-7-21)35-12-10-34(11-13-35)19-22-14-25(37)17-26(38)15-22/h2-9,14-15,17-18,32,37-38H,10-13,16,19-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50139182 (CHEMBL3765525) Show SMILES Cn1ncc2CN(C(=O)CCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C28H36N6O3/c1-31-28-22(18-29-31)20-34(26-8-5-4-7-25(26)30-28)27(37)9-3-2-6-10-32-11-13-33(14-12-32)19-21-15-23(35)17-24(36)16-21/h4-5,7-8,15-18,30,35-36H,2-3,6,9-14,19-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair

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