Compile Data Set for Download or QSAR

Found 606 hits of ic50 data for polymerid = 49000892,49000894,49000895   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Oxytocin receptor (Homo sapiens (Human))	BDBM50103475 (Pmp-Tyr-Ile-Thr-Asn-Cys-Pro-Orn-phe(I,N3)-NH2 | Pm...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(CCCCC1)SCCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCCC1C(=O)NC(CCCN)C(=O)NC(Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O Show InChI InChI=1S/C57H84IN15O13S2/c1-5-31(2)47(69-52(81)40(26-33-13-16-35(86-4)17-14-33)64-46(77)29-57(20-7-6-8-21-57)88-24-19-44(60)75)54(83)70-48(32(3)74)55(84)67-41(28-45(61)76)51(80)68-42(30-87)56(85)73-23-10-12-43(73)53(82)65-38(11-9-22-59)50(79)66-39(49(62)78)27-34-15-18-37(71-72-63)36(58)25-34/h13-18,25,31-32,38-43,47-48,74,87H,5-12,19-24,26-30,59H2,1-4H3,(H2,60,75)(H2,61,76)(H2,62,78)(H,64,77)(H,65,82)(H,66,79)(H,67,84)(H,68,80)(H,69,81)(H,70,83)/t31-,32+,38?,39?,40-,41-,42-,43?,47-,48-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Ability to inhibit OT-induced inositol phosphate accumulation was determined in CHO cells expressing the human OT receptor				J Med Chem 44: 3022-30 (2001) BindingDB Entry DOI: 10.7270/Q29S1Q9F
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043198 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES Cn1cnc(CC(=O)NC(CCS(C)(=O)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1 Show InChI InChI=1S/C34H49N5O6S2/c1-32(2)25-10-13-34(32,22-47(44,45)39-16-14-33(15-17-39)12-9-24-7-5-6-8-27(24)33)29(19-25)37-31(41)28(11-18-46(4,42)43)36-30(40)20-26-21-38(3)23-35-26/h5-8,21,23,25,28-29H,9-20,22H2,1-4H3,(H,36,40)(H,37,41)/t25-,28?,29+,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50100381 (5-Oxo-hexanoic acid {1-[((S)-1-carbamoyl-2-thiophe...) Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2cccs2)C(N)=O)C1=O |t:10| Show InChI InChI=1S/C30H31N5O5S/c1-19(36)9-7-15-25(37)33-29-30(40)35(18-26(38)32-23(28(31)39)17-21-12-8-16-41-21)24-14-6-5-13-22(24)27(34-29)20-10-3-2-4-11-20/h2-6,8,10-14,16,23,29H,7,9,15,17-18H2,1H3,(H2,31,39)(H,32,38)(H,33,37)/t23-,29?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibitory concentration required for antagonist activity against oxytocin receptor				Bioorg Med Chem Lett 11: 1297-300 (2001) BindingDB Entry DOI: 10.7270/Q2T72GQF
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043186 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1cnc[nH]1 Show InChI InChI=1S/C33H47N5O6S2/c1-31(2)24-9-12-33(31,21-46(43,44)38-15-13-32(14-16-38)11-8-23-6-4-5-7-26(23)32)28(18-24)37-30(40)27(10-17-45(3,41)42)36-29(39)19-25-20-34-22-35-25/h4-7,20,22,24,27-28H,8-19,21H2,1-3H3,(H,34,35)(H,36,39)(H,37,40)/t24-,27?,28+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50407295 (CHEMBL2112895) Show SMILES Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CCC(C[C@@H]1NC(=O)[C@H](CCS(C)(=O)=O)NC1CCNCC1)C2(C)C |TLB:23:22:40:18.19| Show InChI InChI=1S/C31H51N5O5S2/c1-23-7-5-6-8-27(23)35-16-18-36(19-17-35)43(40,41)22-31-13-9-24(30(31,2)3)21-28(31)34-29(37)26(12-20-42(4,38)39)33-25-10-14-32-15-11-25/h5-8,24-26,28,32-33H,9-22H2,1-4H3,(H,34,37)/t24?,26-,28-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-OT from binding to oxytocin receptor of rat uterus				J Med Chem 37: 565-71 (1994) BindingDB Entry DOI: 10.7270/Q21C1VZ0
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50407292 (CHEMBL2112893) Show SMILES Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CCC(C[C@@H]1NC(=O)[C@H](CCS(C)(=O)=O)NC1CCS(=O)(=O)CC1)C2(C)C |TLB:23:22:42:18.19| Show InChI InChI=1S/C31H50N4O7S3/c1-23-7-5-6-8-27(23)34-14-16-35(17-15-34)45(41,42)22-31-13-9-24(30(31,2)3)21-28(31)33-29(36)26(12-18-43(4,37)38)32-25-10-19-44(39,40)20-11-25/h5-8,24-26,28,32H,9-22H2,1-4H3,(H,33,36)/t24?,26-,28-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-OT from binding to oxytocin receptor of rat uterus				J Med Chem 37: 565-71 (1994) BindingDB Entry DOI: 10.7270/Q21C1VZ0
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043130 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES Cn1cnc(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1 Show InChI InChI=1S/C34H48N6O5S/c1-32(2)24-11-13-34(32,21-46(44,45)40-16-14-33(15-17-40)12-10-23-6-4-5-7-26(23)33)28(18-24)38-31(43)27(8-9-29(35)41)37-30(42)19-25-20-39(3)22-36-25/h4-7,20,22,24,27-28H,8-19,21H2,1-3H3,(H2,35,41)(H,37,42)(H,38,43)/t24-,27+,28+,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043156 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1cnc[nH]1 Show InChI InChI=1S/C33H46N6O5S/c1-31(2)23-10-12-33(31,20-45(43,44)39-15-13-32(14-16-39)11-9-22-5-3-4-6-25(22)32)27(17-23)38-30(42)26(7-8-28(34)40)37-29(41)18-24-19-35-21-36-24/h3-6,19,21,23,26-27H,7-18,20H2,1-2H3,(H2,34,40)(H,35,36)(H,37,41)(H,38,42)/t23-,26+,27+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50406692 (CHEMBL2112249) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O Show InChI InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-19-9-7-14-35(50)41(55)49-18-8-6-13-33(49)39(53)46-32(23-30-24-43-25-44-30)40(54)48-20-10-15-34(48)38(52)45-31(37(51)47-36)22-27-16-17-28-11-4-5-12-29(28)21-27/h4-5,11-12,16-17,21,24-26,31-36H,3,6-10,13-15,18-20,22-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.				J Med Chem 35: 3905-18 (1992) BindingDB Entry DOI: 10.7270/Q2K64JP2
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043155 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES Cn1cncc1CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C Show InChI InChI=1S/C34H48N6O5S/c1-32(2)24-11-13-34(32,21-46(44,45)40-16-14-33(15-17-40)12-10-23-6-4-5-7-26(23)33)28(18-24)38-31(43)27(8-9-29(35)41)37-30(42)19-25-20-36-22-39(25)3/h4-7,20,22,24,27-28H,8-19,21H2,1-3H3,(H2,35,41)(H,37,42)(H,38,43)/t24-,27+,28+,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50407294 (CHEMBL2112897) Show SMILES Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CCC(C[C@@H]1NC(=O)[C@H](CCS(C)(=O)=O)NC1CCOCC1)C2(C)C |TLB:23:22:40:18.19| Show InChI InChI=1S/C31H50N4O6S2/c1-23-7-5-6-8-27(23)34-14-16-35(17-15-34)43(39,40)22-31-13-9-24(30(31,2)3)21-28(31)33-29(36)26(12-20-42(4,37)38)32-25-10-18-41-19-11-25/h5-8,24-26,28,32H,9-22H2,1-4H3,(H,33,36)/t24?,26-,28-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-OT from binding to oxytocin receptor of rat uterus				J Med Chem 37: 565-71 (1994) BindingDB Entry DOI: 10.7270/Q21C1VZ0
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043080 (3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CCS(C)(=O)=O)[nH]c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C29H41N3O6S2/c1-27(2)21-9-12-29(27,24(18-21)32-25(33)23(30-26(32)34)10-17-39(3,35)36)19-40(37,38)31-15-13-28(14-16-31)11-8-20-6-4-5-7-22(20)28/h4-7,21,24,33H,8-19H2,1-3H3,(H,30,34)/t21-,24+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
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	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Patras Curated by ChEMBL					Assay Description Displacement of [3H]OT from human OT receptor expressed in HEK cells				Eur J Med Chem 42: 799-806 (2007) Article DOI: 10.1016/j.ejmech.2006.12.016 BindingDB Entry DOI: 10.7270/Q2P55N5J
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50407289 (CHEMBL2112901) Show SMILES Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CCC(C[C@@H]1NC(=O)[C@H](CCS(C)(=O)=O)N(CO)CO)C2(C)C |TLB:23:22:38:18.19| Show InChI InChI=1S/C28H46N4O7S2/c1-21-7-5-6-8-23(21)30-12-14-32(15-13-30)41(38,39)18-28-11-9-22(27(28,2)3)17-25(28)29-26(35)24(31(19-33)20-34)10-16-40(4,36)37/h5-8,22,24-25,33-34H,9-20H2,1-4H3,(H,29,35)/t22?,24-,25-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-OT from binding to oxytocin receptor of rat uterus				J Med Chem 37: 565-71 (1994) BindingDB Entry DOI: 10.7270/Q21C1VZ0
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043114 (3-{1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CCC(N)=O)[nH]c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C29H40N4O5S/c1-27(2)20-10-12-29(27,23(17-20)33-25(35)22(31-26(33)36)7-8-24(30)34)18-39(37,38)32-15-13-28(14-16-32)11-9-19-5-3-4-6-21(19)28/h3-6,20,23,35H,7-18H2,1-2H3,(H2,30,34)(H,31,36)/t20-,23+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(F)cc2F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C27H31F2N3O3/c1-15(2)11-22-25(33)30-23(18-12-16-7-5-6-8-17(16)13-18)26(34)32(22)24(27(35)31(3)4)20-10-9-19(28)14-21(20)29/h5-10,14-15,18,22-24H,11-13H2,1-4H3,(H,30,33)/t22-,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Cardiovascular and Urogenital Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as inhibition of oxytocin-induced calcium mobilization by FLIPR assay				J Med Chem 49: 4159-70 (2006) Article DOI: 10.1021/jm060073e BindingDB Entry DOI: 10.7270/Q269735Q
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043102 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)NC(=O)CN Show InChI InChI=1S/C30H46N4O6S2/c1-28(2)22-9-12-30(28,25(18-22)33-27(36)24(32-26(35)19-31)10-17-41(3,37)38)20-42(39,40)34-15-13-29(14-16-34)11-8-21-6-4-5-7-23(21)29/h4-7,22,24-25H,8-20,31H2,1-3H3,(H,32,35)(H,33,36)/t22-,24?,25+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043174 (2-{3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CC#N)c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C28H36N4O4S/c1-26(2)21-8-10-28(26,23(17-21)32-24(33)18-30(16-13-29)25(32)34)19-37(35,36)31-14-11-27(12-15-31)9-7-20-5-3-4-6-22(20)27/h3-6,18,21,23,33H,7-12,14-17,19H2,1-2H3/t21-,23+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50559938 (CHEMBL154668) Show SMILES Cc1ccccc1N1CCN(CC1)S(=O)(=O)CC12CCC(C[C@@H]1NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C |r,TLB:23:22:18.19:34| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human OXTR expressed in CHO-K1 cells by PathHunter beta-arrestin assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115546 BindingDB Entry DOI: 10.7270/Q2F193D1
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043098 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES CN(C)C(CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C Show InChI InChI=1S/C30H47N3O5S2/c1-28(2)23-11-14-30(28,26(20-23)31-27(34)25(32(3)4)12-19-39(5,35)36)21-40(37,38)33-17-15-29(16-18-33)13-10-22-8-6-7-9-24(22)29/h6-9,23,25-26H,10-21H2,1-5H3,(H,31,34)/t23-,25?,26+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50407290 (CHEMBL2112896) Show SMILES CN(C)[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccccc1C)C2(C)C |TLB:12:13:36:17.16| Show InChI InChI=1S/C28H46N4O5S2/c1-21-9-7-8-10-23(21)31-14-16-32(17-15-31)39(36,37)20-28-13-11-22(27(28,2)3)19-25(28)29-26(33)24(30(4)5)12-18-38(6,34)35/h7-10,22,24-25H,11-20H2,1-6H3,(H,29,33)/t22?,24-,25-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-OT from binding to oxytocin receptor of rat uterus				J Med Chem 37: 565-71 (1994) BindingDB Entry DOI: 10.7270/Q21C1VZ0
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50100380 (5-Oxo-hexanoic acid (1-{[(S)-1-carbamoyl-2-(3,4-di...) Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O |t:10| Show InChI InChI=1S/C32H31Cl2N5O5/c1-19(40)8-7-13-27(41)37-31-32(44)39(26-12-6-5-11-22(26)29(38-31)21-9-3-2-4-10-21)18-28(42)36-25(30(35)43)17-20-14-15-23(33)24(34)16-20/h2-6,9-12,14-16,25,31H,7-8,13,17-18H2,1H3,(H2,35,43)(H,36,42)(H,37,41)/t25-,31?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibitory concentration required for antagonist activity against oxytocin receptor				Bioorg Med Chem Lett 11: 1297-300 (2001) BindingDB Entry DOI: 10.7270/Q2T72GQF
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043086 (1N-(1H-2-imidazolyl)-2-{3-[7,7-dimethyl-1-spiro[2,...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CC(=O)Nc2ncc[nH]2)c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C31H40N6O5S/c1-29(2)22-8-10-31(29,20-43(41,42)36-15-11-30(12-16-36)9-7-21-5-3-4-6-23(21)30)24(17-22)37-26(39)19-35(28(37)40)18-25(38)34-27-32-13-14-33-27/h3-6,13-14,19,22,24,39H,7-12,15-18,20H2,1-2H3,(H2,32,33,34,38)/t22-,24+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043120 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES Cn1cnc(CC(=O)N(CCS(C)(=O)=O)[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1 Show InChI InChI=1S/C32H46N4O5S2/c1-30(2)25-10-12-32(30,28(19-25)36(17-18-42(4,38)39)29(37)20-26-21-34(3)23-33-26)22-43(40,41)35-15-13-31(14-16-35)11-9-24-7-5-6-8-27(24)31/h5-8,21,23,25,28H,9-20,22H2,1-4H3/t25-,28+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM81894 (Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-D-Pyz-L-Pip-...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O |c:55| Show InChI InChI=1S/C39H50N10O6/c1-3-23(2)33-39(55)49-32(13-8-15-43-49)38(54)48-16-7-6-12-30(48)36(52)45-29(19-25-21-40-22-42-25)37(53)47-17-9-14-31(47)35(51)44-28(34(50)46-33)18-24-20-41-27-11-5-4-10-26(24)27/h4-5,10-11,15,20-23,28-33,41H,3,6-9,12-14,16-19H2,1-2H3,(H,40,42)(H,44,51)(H,45,52)(H,46,50)/t23-,28+,29+,30-,31-,32+,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.				J Med Chem 35: 3905-18 (1992) BindingDB Entry DOI: 10.7270/Q2K64JP2
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043060 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](CCC(N)=O)NC(=O)CCN Show InChI InChI=1S/C31H47N5O5S/c1-29(2)22-10-13-31(29,25(19-22)35-28(39)24(7-8-26(33)37)34-27(38)11-16-32)20-42(40,41)36-17-14-30(15-18-36)12-9-21-5-3-4-6-23(21)30/h3-6,22,24-25H,7-20,32H2,1-2H3,(H2,33,37)(H,34,38)(H,35,39)/t22-,24+,25+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043141 (5-(3-amino-1H-1,2,4-triazol-5-ylaminomethyl)-3-[7,...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CNc2nnc(N)[nH]2)[nH]c1=O |TLB:27:25:1:5.4| Show InChI InChI=1S/C29H40N8O4S/c1-27(2)19-8-10-29(27,22(15-19)37-23(38)21(32-26(37)39)16-31-25-33-24(30)34-35-25)17-42(40,41)36-13-11-28(12-14-36)9-7-18-5-3-4-6-20(18)28/h3-6,19,22,38H,7-17H2,1-2H3,(H,32,39)(H4,30,31,33,34,35)/t19-,22+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50410616 (CHEMBL2113185) Show SMILES Clc1ccc(cc1)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1 Show InChI InChI=1S/C28H28ClN5O6S/c29-20-5-7-21(8-6-20)34(19-26(35)31-32-27-24-3-1-2-4-25(24)30-28(27)36)41(37,38)23-11-9-22(10-12-23)40-18-15-33-13-16-39-17-14-33/h1-12H,13-19H2,(H,31,35)(H,30,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells				J Med Chem 48: 7882-905 (2005) Article DOI: 10.1021/jm050645f BindingDB Entry DOI: 10.7270/Q2QF8TN3
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50410619 (CHEMBL2113208) Show SMILES COCCOCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H27ClN4O7S/c1-37-14-15-38-16-17-39-21-10-12-22(13-11-21)40(35,36)32(20-8-6-19(28)7-9-20)18-25(33)30-31-26-23-4-2-3-5-24(23)29-27(26)34/h2-13H,14-18H2,1H3,(H,30,33)(H,29,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells				J Med Chem 48: 7882-905 (2005) Article DOI: 10.1021/jm050645f BindingDB Entry DOI: 10.7270/Q2QF8TN3
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50205997 (CHEMBL395290 | [Pip7]OT) 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)N1CCCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C44H68N12O12S2/c1-5-23(4)36-43(67)50-27(13-14-33(46)58)39(63)52-30(18-34(47)59)40(64)54-31(21-70-69-20-26(45)37(61)51-29(41(65)55-36)17-24-9-11-25(57)12-10-24)44(68)56-15-7-6-8-32(56)42(66)53-28(16-22(2)3)38(62)49-19-35(48)60/h9-12,22-23,26-32,36,57H,5-8,13-21,45H2,1-4H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,67)(H,51,61)(H,52,63)(H,53,66)(H,54,64)(H,55,65)/t23-,26-,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 Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Patras Curated by ChEMBL					Assay Description Displacement of [3H]OT from human OT receptor expressed in HEK cells				Eur J Med Chem 42: 799-806 (2007) Article DOI: 10.1016/j.ejmech.2006.12.016 BindingDB Entry DOI: 10.7270/Q2P55N5J
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50285308 (3-amino-1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-ind...) Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)C[C@H](N)C1=O |THB:27:25:1:5.4| Show InChI InChI=1S/C27H37N3O4S/c1-25(2)19-8-10-27(25,22(15-19)30-23(31)16-21(28)24(30)32)17-35(33,34)29-13-11-26(12-14-29)9-7-18-5-3-4-6-20(18)26/h3-6,19,21-22H,7-17,28H2,1-2H3/t19?,21-,22-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-oxytocin to rat uterine oxytocin receptor				Bioorg Med Chem Lett 5: 119-122 (1995) Article DOI: 10.1016/0960-894X(94)00469-V BindingDB Entry DOI: 10.7270/Q2QF8STX
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043143 (1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1cnc[nH]1)C2 |c:19| Show InChI InChI=1S/C34H47N5O7S2/c1-31(2)25-9-12-33(31,22-48(45,46)39-15-13-32(14-16-39)11-8-24-6-4-5-7-27(24)32)34(42,19-25)21-36-30(41)28(10-17-47(3,43)44)38-29(40)18-26-20-35-23-37-26/h4-8,11,20,23,25,28,42H,9-10,12-19,21-22H2,1-3H3,(H,35,37)(H,36,41)(H,38,40)/t25-,28?,33+,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50027070 (CHEMBL2369136) Show SMILES [H][C@]12CCCN1C(=O)[C@]1([H])CSSC(C)(C)[C@@H](N)C(=O)N[C@@]([H])([C@@H](C)c3c(C)cc(OC)cc3C)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@]([H])(CCC(=O)NCCCC[C@@H](NC2=O)C(=O)NCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C49H76N12O12S2/c1-9-24(2)38-45(69)56-30-15-16-36(64)53-17-11-10-13-29(41(65)54-22-35(51)63)55-44(68)33-14-12-18-61(33)48(72)32(58-43(67)31(21-34(50)62)57-42(30)66)23-74-75-49(6,7)40(52)47(71)60-39(46(70)59-38)27(5)37-25(3)19-28(73-8)20-26(37)4/h19-20,24,27,29-33,38-40H,9-18,21-23,52H2,1-8H3,(H2,50,62)(H2,51,63)(H,53,64)(H,54,65)(H,55,68)(H,56,69)(H,57,66)(H,58,67)(H,59,70)(H,60,71)/t24-,27-,29+,30+,31+,32-,33+,38-,39-,40-/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	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity towards oxytocin receptor				J Med Chem 46: 4215-31 (2003) Article DOI: 10.1021/jm0303103 BindingDB Entry DOI: 10.7270/Q2JW8FM1
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50410635 (CHEMBL2113211) Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H23ClN4O6S/c1-35-14-15-36-19-10-12-20(13-11-19)37(33,34)30(18-8-6-17(26)7-9-18)16-23(31)28-29-24-21-4-2-3-5-22(21)27-25(24)32/h2-13H,14-16H2,1H3,(H,28,31)(H,27,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells				J Med Chem 48: 7882-905 (2005) Article DOI: 10.1021/jm050645f BindingDB Entry DOI: 10.7270/Q2QF8TN3
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043204 (1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-...) Show SMILES CC(C)[C@H](NC(=O)Cc1cnc[nH]1)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:37| Show InChI InChI=1S/C34H47N5O5S/c1-23(2)29(38-28(40)17-26-19-35-22-37-26)30(41)36-20-34(42)18-25-10-12-33(34,31(25,3)4)21-45(43,44)39-15-13-32(14-16-39)11-9-24-7-5-6-8-27(24)32/h5-9,11,19,22-23,25,29,42H,10,12-18,20-21H2,1-4H3,(H,35,37)(H,36,41)(H,38,40)/t25-,29+,33+,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50406697 (CHEMBL2112250) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O Show InChI InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-20-9-7-17-35(50)41(55)49-19-8-6-16-33(49)39(53)46-32(23-29-24-43-25-44-29)40(54)48-21-11-18-34(48)38(52)45-31(37(51)47-36)22-28-14-10-13-27-12-4-5-15-30(27)28/h4-5,10,12-15,24-26,31-36H,3,6-9,11,16-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.				J Med Chem 35: 3905-18 (1992) BindingDB Entry DOI: 10.7270/Q2K64JP2
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50001311 (24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O Show InChI InChI=1S/C43H56N8O6/c1-4-27(2)37-43(57)50-20-11-10-17-34(50)41(55)51-22-19-44-26-36(51)40(54)48(3)35(23-28-13-6-5-7-14-28)42(56)49-21-12-18-33(49)39(53)46-32(38(52)47-37)24-29-25-45-31-16-9-8-15-30(29)31/h5-9,13-16,25,27,32-37,44-45H,4,10-12,17-24,26H2,1-3H3,(H,46,53)(H,47,52)/t27-,32+,33-,34+,35+,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from pregnant rats				J Med Chem 35: 3905-18 (1992) BindingDB Entry DOI: 10.7270/Q2K64JP2
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50326719 ((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...) Show SMILES Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C |r,TLB:23:22:34:18.19| Show InChI InChI=1S/C26H42N4O5S2/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31)/t20-,21+,23+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Yerkes National Primate Research Center Curated by ChEMBL					Assay Description Inhibition of rat uterus OT receptor				Bioorg Med Chem Lett 23: 902-6 (2013) Article DOI: 10.1016/j.bmcl.2012.10.116 BindingDB Entry DOI: 10.7270/Q29Z9690
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50326719 ((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...) Show SMILES Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C |r,TLB:23:22:34:18.19| Show InChI InChI=1S/C26H42N4O5S2/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31)/t20-,21+,23+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-OT from binding to oxytocin receptor of rat uterus				J Med Chem 37: 565-71 (1994) BindingDB Entry DOI: 10.7270/Q21C1VZ0
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50285295 (1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'...) Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(NCCO)C1=O Show InChI InChI=1S/C29H41N3O5S/c1-27(2)21-8-10-29(27,24(17-21)32-25(34)18-23(26(32)35)30-13-16-33)19-38(36,37)31-14-11-28(12-15-31)9-7-20-5-3-4-6-22(20)28/h3-6,21,23-24,30,33H,7-19H2,1-2H3/t21?,23?,24-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-oxytocin to rat uterine oxytocin receptor				Bioorg Med Chem Lett 5: 119-122 (1995) Article DOI: 10.1016/0960-894X(94)00469-V BindingDB Entry DOI: 10.7270/Q2QF8STX
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50407293 (CHEMBL2112898) Show SMILES CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccccc1C)C2(C)C |TLB:11:12:35:16.15| Show InChI InChI=1S/C27H44N4O5S2/c1-20-8-6-7-9-23(20)30-13-15-31(16-14-30)38(35,36)19-27-12-10-21(26(27,2)3)18-24(27)29-25(32)22(28-4)11-17-37(5,33)34/h6-9,21-22,24,28H,10-19H2,1-5H3,(H,29,32)/t21?,22-,24-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-OT from binding to oxytocin receptor of rat uterus				J Med Chem 37: 565-71 (1994) BindingDB Entry DOI: 10.7270/Q21C1VZ0
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50435057 (CHEMBL2391300) Show SMILES CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccccc1C)C2(C)C |r,TLB:11:12:35:16.15| Show InChI InChI=1S/C27H44N4O5S2/c1-20-8-6-7-9-23(20)30-13-15-31(16-14-30)38(35,36)19-27-12-10-21(26(27,2)3)18-24(27)29-25(32)22(28-4)11-17-37(5,33)34/h6-9,21-22,24,28H,10-19H2,1-5H3,(H,29,32)/t21-,22+,24+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Yerkes National Primate Research Center Curated by ChEMBL					Assay Description Inhibition of rat uterus OT receptor				Bioorg Med Chem Lett 23: 902-6 (2013) Article DOI: 10.1016/j.bmcl.2012.10.116 BindingDB Entry DOI: 10.7270/Q29Z9690
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384820 (EPELSIBAN | GSK557296B) Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C30H38N4O4/c1-5-18(2)26-28(35)32-25(23-16-21-8-6-7-9-22(21)17-23)29(36)34(26)27(24-11-10-19(3)31-20(24)4)30(37)33-12-14-38-15-13-33/h6-11,18,23,25-27H,5,12-17H2,1-4H3,(H,32,35)/t18-,25+,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical CO., LTD. Curated by ChEMBL					Assay Description Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by ...				ACS Med Chem Lett 10: 996-1001 (2019) Article DOI: 10.1021/acsmedchemlett.9b00186 BindingDB Entry DOI: 10.7270/Q2Q52T0J
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50516419 (CHEMBL4464246) Show SMILES [H][C@@]12C[C@@]1(CN(C2)c1nnc(COCC)n1-c1ccc(OC)nc1)c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C22H23ClFN5O2/c1-3-31-12-19-26-27-21(29(19)16-5-7-20(30-2)25-10-16)28-11-14-9-22(14,13-28)17-6-4-15(24)8-18(17)23/h4-8,10,14H,3,9,11-13H2,1-2H3/t14-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical CO., LTD. Curated by ChEMBL					Assay Description Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by ...				ACS Med Chem Lett 10: 996-1001 (2019) Article DOI: 10.1021/acsmedchemlett.9b00186 BindingDB Entry DOI: 10.7270/Q2Q52T0J
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50516428 (CHEMBL4449435) Show SMILES COCc1nnc(N2CCC(CC2)c2ccc(F)cc2Cl)n1-c1ccc(OC)nc1 Show InChI InChI=1S/C21H23ClFN5O2/c1-29-13-19-25-26-21(28(19)16-4-6-20(30-2)24-12-16)27-9-7-14(8-10-27)17-5-3-15(23)11-18(17)22/h3-6,11-12,14H,7-10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical CO., LTD. Curated by ChEMBL					Assay Description Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by ...				ACS Med Chem Lett 10: 996-1001 (2019) Article DOI: 10.1021/acsmedchemlett.9b00186 BindingDB Entry DOI: 10.7270/Q2Q52T0J
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50406698 (CHEMBL2112247) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O Show InChI InChI=1S/C41H55N9O6/c1-4-25(2)35-41(56)50-18-10-8-15-34(50)40(55)49-17-9-7-14-32(49)38(53)45-30(21-27-22-42-24-43-27)39(54)48-19-11-16-33(48)37(52)44-29(36(51)46-35)20-26-23-47(3)31-13-6-5-12-28(26)31/h5-6,12-13,22-25,29-30,32-35H,4,7-11,14-21H2,1-3H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)/t25-,29+,30+,32-,33-,34+,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.				J Med Chem 35: 3905-18 (1992) BindingDB Entry DOI: 10.7270/Q2K64JP2
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50285293 (1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'...) Show SMILES C[C@@H](O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O Show InChI InChI=1S/C30H43N3O5S/c1-20(34)18-31-24-17-26(35)33(27(24)36)25-16-22-9-11-30(25,28(22,2)3)19-39(37,38)32-14-12-29(13-15-32)10-8-21-6-4-5-7-23(21)29/h4-7,20,22,24-25,31,34H,8-19H2,1-3H3/t20-,22?,24?,25+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-oxytocin to rat uterine oxytocin receptor				Bioorg Med Chem Lett 5: 119-122 (1995) Article DOI: 10.1016/0960-894X(94)00469-V BindingDB Entry DOI: 10.7270/Q2QF8STX
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043160 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)c1cnc[nH]1 Show InChI InChI=1S/C31H44N4O5S2/c1-29(2)23-9-12-31(29,27(18-23)34-28(36)24(10-17-41(3,37)38)26-19-32-21-33-26)20-42(39,40)35-15-13-30(14-16-35)11-8-22-6-4-5-7-25(22)30/h4-7,19,21,23-24,27H,8-18,20H2,1-3H3,(H,32,33)(H,34,36)/t23-,24?,27+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-AVP binding to the vasopressin V2 receptor in rat kidney tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043109 (1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CCC1=O Show InChI InChI=1S/C27H36N2O4S/c1-25(2)20-10-12-27(25,22(17-20)29-23(30)7-8-24(29)31)18-34(32,33)28-15-13-26(14-16-28)11-9-19-5-3-4-6-21(19)26/h3-6,20,22H,7-18H2,1-2H3/t20-,22+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50043160 (1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)c1cnc[nH]1 Show InChI InChI=1S/C31H44N4O5S2/c1-29(2)23-9-12-31(29,27(18-23)34-28(36)24(10-17-41(3,37)38)26-19-32-21-33-26)20-42(39,40)35-15-13-30(14-16-35)11-8-22-6-4-5-7-25(22)30/h4-7,19,21,23-24,27H,8-18,20H2,1-3H3,(H,32,33)(H,34,36)/t23-,24?,27+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue				J Med Chem 36: 3993-4005 (1994) BindingDB Entry DOI: 10.7270/Q27M070W
					More data for this Ligand-Target Pair

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