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Compile Data Set for Download or QSAR

Found 1552 hits Enz. Inhib. hit(s) with Target = 'Oxytocin receptor'   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Oxytocin receptor


(HEK293)
BDBM50103475
PNG
(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
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n/an/a 0.320n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043198
PNG
(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
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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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50100381
PNG
(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
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
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n/an/a 1n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043186
PNG
(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
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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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50407295
PNG
(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
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
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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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50407292
PNG
(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
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
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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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043130
PNG
(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
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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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50406692
PNG
(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
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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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043156
PNG
(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
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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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043155
PNG
(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
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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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50407294
PNG
(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
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
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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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043080
PNG
(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
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
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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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50205990
PNG
(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
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
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n/an/a 2.70n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50407289
PNG
(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
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
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n/an/a 2.80n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043114
PNG
(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
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
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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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50190528
PNG
((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
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n/an/a 3.70n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043102
PNG
(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
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n/an/a 4.10n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043174
PNG
(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
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
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n/an/a 4.20n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50407290
PNG
(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
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
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n/an/a 4.90n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043098
PNG
(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
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n/an/a 4.90n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50100380
PNG
(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
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
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n/an/a 5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043086
PNG
(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
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
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n/an/a 5.90n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM81894
PNG
(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
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
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n/an/a 6n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043120
PNG
(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
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n/an/a 6n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043060
PNG
(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
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n/an/a 6.30n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043141
PNG
(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
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
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n/an/a 6.70n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410619
PNG
(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)
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n/an/a 7n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410616
PNG
(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)
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n/an/a 7n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50285308
PNG
(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
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
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-oxytocin to rat uterine oxytocin receptor


Citation and Details
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50205997
PNG
(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
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n/an/a 7n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043143
PNG
(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
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
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n/an/a 7.60n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50410635
PNG
(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)
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n/an/a 8n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50027070
PNG
(CHEMBL2369136)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](N)C(C)(C)SSC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(=O)NCCCC[C@@H](NC(=O)[C@H]3CCCN3C2=O)C(=O)NCC(N)=O)NC1=O)[C@@H](C)c1c(C)cc(OC)cc1C
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
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n/an/a 8n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards oxytocin receptor


Citation and Details
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043204
PNG
(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
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
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n/an/a 8.30n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50406697
PNG
(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
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n/an/a 8.30n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50001311
PNG
(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
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n/an/a 8.40n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50326719
PNG
((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
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
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n/an/a 8.90n/an/an/an/an/an/a



Yerkes National Primate Research Center

Curated by ChEMBL


Assay Description
Inhibition of rat uterus OT receptor


Citation and Details
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50326719
PNG
((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
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
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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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50285295
PNG
(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
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-oxytocin to rat uterine oxytocin receptor


Citation and Details
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50407293
PNG
(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
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
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n/an/a 9.20n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50435057
PNG
(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
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
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n/an/a 9.20n/an/an/an/an/an/a



Yerkes National Primate Research Center

Curated by ChEMBL


Assay Description
Inhibition of rat uterus OT receptor


Citation and Details
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50285293
PNG
(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
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-oxytocin to rat uterine oxytocin receptor


Citation and Details
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50406698
PNG
(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
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n/an/a 10n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043160
PNG
(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
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n/an/a 11n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043160
PNG
(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
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n/an/a 11n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043109
PNG
(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
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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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043093
PNG
(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)cn(Cc2cnc[nH]2)c1=O
Show InChI InChI=1S/C30H39N5O4S/c1-28(2)22-8-10-30(28,25(15-22)35-26(36)18-33(27(35)37)17-23-16-31-20-32-23)19-40(38,39)34-13-11-29(12-14-34)9-7-21-5-3-4-6-24(21)29/h3-6,16,18,20,22,25,36H,7-15,17,19H2,1-2H3,(H,31,32)/t22-,25+,30-/m1/s1
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n/an/a 12n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043146
PNG
(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](N)CCC(N)=O
Show InChI InChI=1S/C28H42N4O4S/c1-26(2)20-10-12-28(26,23(17-20)31-25(34)22(29)7-8-24(30)33)18-37(35,36)32-15-13-27(14-16-32)11-9-19-5-3-4-6-21(19)27/h3-6,20,22-23H,7-18,29H2,1-2H3,(H2,30,33)(H,31,34)/t20-,22-,23+,28-/m1/s1
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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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043171
PNG
(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](N)CCC(N)=O
Show InChI InChI=1S/C28H42N4O4S/c1-26(2)20-10-12-28(26,23(17-20)31-25(34)22(29)7-8-24(30)33)18-37(35,36)32-15-13-27(14-16-32)11-9-19-5-3-4-6-21(19)27/h3-6,20,22-23H,7-18,29H2,1-2H3,(H2,30,33)(H,31,34)/t20-,22+,23+,28-/m1/s1
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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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50407012
PNG
(CHEMBL2112666)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@@H](N)CCS(C)(=O)=O
Show InChI InChI=1S/C28H43N3O5S2/c1-26(2)21-9-12-28(26,24(18-21)30-25(32)23(29)10-17-37(3,33)34)19-38(35,36)31-15-13-27(14-16-31)11-8-20-6-4-5-7-22(20)27/h4-7,21,23-24H,8-19,29H2,1-3H3,(H,30,32)/t21-,23+,24+,28-/m1/s1
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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)

More data for this
Ligand-Target Pair
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