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Compile Data Set for Download or QSAR

Found 629 hits Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' AND taxid = 10116   
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


(RAT)
BDBM50077035
PNG
(1-(1-{2-[4-Morpholin-4-yl-2-(2,2,2-trifluoro-ethox...)
Show SMILES FC(F)(F)COc1cc(ccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C27H30F3N3O5/c28-27(29,30)18-38-24-16-22(31-11-13-36-14-12-31)6-5-19(24)15-25(34)32-9-7-21(8-10-32)33-23-4-2-1-3-20(23)17-37-26(33)35/h1-6,16,21H,7-15,17-18H2
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)


Bioorg Med Chem Lett 9: 1311-6 (1999)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50038604
PNG
(3-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-T...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1cccc(c1)N=[N+]=[N-]
Show InChI InChI=1S/C62H82N20O13/c1-81(52(87)33-38-11-5-12-39(29-38)79-80-70)49(32-37-18-22-41(84)23-19-37)59(94)78-46(31-35-9-3-2-4-10-35)56(91)73-43(24-25-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(14-7-27-72-62(68)69)60(95)82-28-8-15-48(82)58(93)74-42(13-6-26-71-61(66)67)54(89)76-45(53(65)88)30-36-16-20-40(83)21-17-36/h2-5,9-12,16-23,29,42-49,83-84H,6-8,13-15,24-28,30-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant at OT receptor of rat mamary glands


J Med Chem 37: 1841-9 (1994)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50326717
PNG
(4-ethoxy-N-(2-oxo-2-(2-(2-oxoindolin-3-ylidene)hyd...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc12)c1ccc(C)cc1
Show InChI InChI=1S/C25H24N4O5S/c1-3-34-19-12-14-20(15-13-19)35(32,33)29(18-10-8-17(2)9-11-18)16-23(30)27-28-24-21-6-4-5-7-22(21)26-25(24)31/h4-15H,3,16H2,1-2H3,(H,27,30)(H,26,28,31)
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0.670n/an/an/an/an/an/an/an/a



DrugMolDesign

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from rat oxytocin receptor expressed in HEK293-EBNA cells


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


(RAT)
BDBM50326722
PNG
((Z)-3-(4-(N-(4-chlorophenyl)-N-(2-oxo-2-(2-(2-oxoi...)
Show SMILES CN(C)CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN6O5S/c1-36(2)19-5-18-32-27(38)17-10-21-8-15-24(16-9-21)43(41,42)37(23-13-11-22(31)12-14-23)20-28(39)34-35-29-25-6-3-4-7-26(25)33-30(29)40/h3-4,6-9,11-16H,5,10,17-20H2,1-2H3,(H,32,38)(H,34,39)(H,33,35,40)
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0.670n/an/an/an/an/an/an/an/a



DrugMolDesign

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from rat oxytocin receptor expressed in HEK293-EBNA cells


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


(RAT)
BDBM50326722
PNG
((Z)-3-(4-(N-(4-chlorophenyl)-N-(2-oxo-2-(2-(2-oxoi...)
Show SMILES CN(C)CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN6O5S/c1-36(2)19-5-18-32-27(38)17-10-21-8-15-24(16-9-21)43(41,42)37(23-13-11-22(31)12-14-23)20-28(39)34-35-29-25-6-3-4-7-26(25)33-30(29)40/h3-4,6-9,11-16H,5,10,17-20H2,1-2H3,(H,32,38)(H,34,39)(H,33,35,40)
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0.670n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from rat oxytocin receptor expressed in HEK293-EBNA cells


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


(RAT)
BDBM81891
PNG
(CAS_188397 | L-366,948 | NSC_188397)
Show SMILES CCC(C)C(NC(=O)C(N)Cc1ccc2ccccc2c1)C(=O)C1(CCCN1C(=O)C(N)CC1=NC(N=C1)(C(=O)N1CCCCC1)C(=O)N1CCCCC1)C=O
Show InChI InChI=1S/C42H56N8O6/c1-3-28(2)35(46-37(53)33(43)24-29-15-16-30-13-6-7-14-31(30)23-29)36(52)41(27-51)17-12-22-50(41)38(54)34(44)25-32-26-45-42(47-32,39(55)48-18-8-4-9-19-48)40(56)49-20-10-5-11-21-49/h6-7,13-16,23,26-28,33-35H,3-5,8-12,17-22,24-25,43-44H2,1-2H3,(H,46,53)
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0.700n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 304-8 (1991)

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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0.700n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50077032
PNG
(1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-t...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C30H34F3N3O6/c1-20(37)34-14-10-24(11-15-34)42-25-7-6-21(27(17-25)41-19-30(31,32)33)16-28(38)35-12-8-23(9-13-35)36-26-5-3-2-4-22(26)18-40-29(36)39/h2-7,17,23-24H,8-16,18-19H2,1H3
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0.710n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)


Bioorg Med Chem Lett 9: 1311-6 (1999)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM81891
PNG
(CAS_188397 | L-366,948 | NSC_188397)
Show SMILES CCC(C)C(NC(=O)C(N)Cc1ccc2ccccc2c1)C(=O)C1(CCCN1C(=O)C(N)CC1=NC(N=C1)(C(=O)N1CCCCC1)C(=O)N1CCCCC1)C=O
Show InChI InChI=1S/C42H56N8O6/c1-3-28(2)35(46-37(53)33(43)24-29-15-16-30-13-6-7-14-31(30)23-29)36(52)41(27-51)17-12-22-50(41)38(54)34(44)25-32-26-45-42(47-32,39(55)48-18-8-4-9-19-48)40(56)49-20-10-5-11-21-49/h6-7,13-16,23,26-28,33-35H,3-5,8-12,17-22,24-25,43-44H2,1-2H3,(H,46,53)
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0.800n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 304-8 (1991)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
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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0.890n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Binding affinity against oxytocin receptor in rat uterus


J Med Chem 33: 2321-3 (1990)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50013775
PNG
((oxytocin-OT) cyclo[Cys-Tyr-Ile-Gln-Asn-Cys]-Pro-L...)
Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=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+/m1/s1
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0.890n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 301-8 (1997)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50056796
PNG
(CHEMBL435716 | DEAMINOOXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30+,31-,36-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Oxytocin receptor was determined in rat uterine membrane using radioligand [3H]-oxytocin


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


(RAT)
BDBM50205291
PNG
((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Show SMILES NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.970n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat OT receptor expressed in CHO cells


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


(RAT)
BDBM50368134
PNG
(CHEMBL1790544)
Show SMILES CC[C@@H](C)[C@@H]1NC(=S)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C40H50N8O5S/c1-4-26(2)34-40(53)48-32(19-12-22-42-48)39(52)47-31(18-11-21-41-47)37(50)45(3)33(25-28-16-9-6-10-17-28)38(51)46-23-13-20-30(46)35(49)43-29(36(54)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,49)(H,44,54)/t26-,29-,30+,31+,32-,33-,34+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Binding affinity against oxytocin receptor in rat uterus


J Med Chem 33: 2321-3 (1990)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50077041
PNG
(1-(1-{2-[4-(1-Cyclopropylmethyl-piperidin-4-yloxy)...)
Show SMILES FC(F)(F)COc1cc(OC2CCN(CC3CC3)CC2)ccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C32H38F3N3O5/c33-32(34,35)21-42-29-18-27(43-26-11-13-36(14-12-26)19-22-5-6-22)8-7-23(29)17-30(39)37-15-9-25(10-16-37)38-28-4-2-1-3-24(28)20-41-31(38)40/h1-4,7-8,18,22,25-26H,5-6,9-17,19-21H2
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1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)


Bioorg Med Chem Lett 9: 1311-6 (1999)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM35667
PNG
(AVP | CHEMBL373742 | [3H]Arginine vasopressin | [3...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat OT receptor expressed in CHO cells


Citation and Details
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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1.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 304-8 (1991)

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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1.30n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50038603
PNG
(3-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1cccc(c1)N=[N+]=[N-]
Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)27-20-37-11-5-12-40(31-37)80-81-71)50(34-39-18-23-42(85)24-19-39)60(95)79-47(33-36-9-3-2-4-10-36)57(92)74-44(25-26-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(14-7-29-73-63(69)70)61(96)83-30-8-15-49(83)59(94)75-43(13-6-28-72-62(67)68)55(90)77-46(54(66)89)32-38-16-21-41(84)22-17-38/h2-5,9-12,16-19,21-24,31,43-50,84-85H,6-8,13-15,20,25-30,32-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant at OT receptor of rat mamary glands


J Med Chem 37: 1841-9 (1994)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50326716
PNG
((R)-4-chloro-3-(5-chloro-1-(2,4-dimethoxybenzyl)-3...)
Show SMILES CCN(Cc1cccnc1)C(=O)c1ccc(Cl)c(c1)[C@]1(C)C(=O)N(Cc2ccc(OC)cc2OC)c2ccc(Cl)cc12
Show InChI InChI=1S/C33H31Cl2N3O4/c1-5-37(19-21-7-6-14-36-18-21)31(39)22-9-12-28(35)26(15-22)33(2)27-16-24(34)10-13-29(27)38(32(33)40)20-23-8-11-25(41-3)17-30(23)42-4/h6-18H,5,19-20H2,1-4H3/t33-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



DrugMolDesign

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from rat oxytocin receptor expressed in CHO cells


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


(RAT)
BDBM50013635
PNG
(24-(1H-5-imidazolylmethyl)-13-[1-methyl-(1S)-propy...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)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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1.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 33: 1843-5 (1990)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
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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1.70n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Oxytocin receptor was determined in rat uterine membrane using radioligand [3H]-oxytocin


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


(RAT)
BDBM86210
PNG
(CAS_50-56-6 | NSC_439302 | Oxytocin)
Show SMILES CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)NC(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)
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1.90n/an/an/an/an/an/an/an/a



LCG Bioscience

Curated by PDSP Ki Database




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


(RAT)
BDBM50077037
PNG
(1-(1-{2-[4-(2-Morpholin-4-yl-ethoxy)-2-(2,2,2-trif...)
Show SMILES FC(F)(F)COc1cc(OCCN2CCOCC2)ccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C29H34F3N3O6/c30-29(31,32)20-41-26-18-24(39-16-13-33-11-14-38-15-12-33)6-5-21(26)17-27(36)34-9-7-23(8-10-34)35-25-4-2-1-3-22(25)19-40-28(35)37/h1-6,18,23H,7-17,19-20H2
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2.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)


Bioorg Med Chem Lett 9: 1311-6 (1999)

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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2.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 304-8 (1991)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50410634
PNG
(CHEMBL2113189)
Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)NC(=O)c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H28ClN5O6S/c1-33(2)16-5-17-40-21-12-14-22(15-13-21)41(38,39)34(20-10-8-19(29)9-11-20)18-25(35)31-32-26-23-6-3-4-7-24(23)27(36)30-28(26)37/h3-4,6-15H,5,16-18H2,1-2H3,(H,31,35)(H,30,36,37)/b32-26-
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2.70n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from rat oxytocin receptor expressed in HEK293-EBNA cells


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


(RAT)
BDBM50077039
PNG
(1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-trifluor...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC(F)(F)F)c1
Show InChI InChI=1S/C29H32F3N3O6/c1-19(36)33-14-10-23(11-15-33)40-24-7-6-20(26(17-24)41-29(30,31)32)16-27(37)34-12-8-22(9-13-34)35-25-5-3-2-4-21(25)18-39-28(35)38/h2-7,17,22-23H,8-16,18H2,1H3
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2.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)


Bioorg Med Chem Lett 9: 1311-6 (1999)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50056795
PNG
(CHEMBL353396 | Deaminooxytocin Trisulfide)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSSC[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/C43H65N11O12S3/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-69-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30+,31-,36-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Oxytocin receptor was determined in rat uterine membrane using radioligand [3H]-oxytocin


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


(RAT)
BDBM50064738
PNG
(1-(1-{5-Fluoro-2-methoxy-4-[1-(1-oxy-2-trifluorome...)
Show SMILES COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C(F)(F)F)CC2)c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C33H34F4N4O6/c1-45-28-18-29(47-24-10-13-38(14-11-24)19-21-6-4-12-40(44)30(21)33(35,36)37)26(34)17-25(28)31(42)39-15-8-23(9-16-39)41-27-7-3-2-5-22(27)20-46-32(41)43/h2-7,12,17-18,23-24H,8-11,13-16,19-20H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat oxytocin receptor (OT-R)


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


(RAT)
BDBM50056796
PNG
(CHEMBL435716 | DEAMINOOXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30+,31-,36-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Binding affinity of the compound against oxytocin receptor


J Med Chem 43: 1448-55 (2000)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50064709
PNG
(1-(1-{4-[1-(2-Ethyl-4,6-dimethyl-1-oxy-pyridin-3-y...)
Show SMILES CCc1c(CN2CCC(CC2)Oc2cc(OC)c(cc2F)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(C)cc(C)[n+]1[O-]
Show InChI InChI=1S/C36H43FN4O6/c1-5-31-29(23(2)18-24(3)41(31)44)21-38-14-12-27(13-15-38)47-34-20-33(45-4)28(19-30(34)37)35(42)39-16-10-26(11-17-39)40-32-9-7-6-8-25(32)22-46-36(40)43/h6-9,18-20,26-27H,5,10-17,21-22H2,1-4H3
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3.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat oxytocin receptor (OT-R)


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


(RAT)
BDBM50368130
PNG
(CHEMBL1790551)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C[C@@H](CN(C)C)C=NN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C43H57N9O6/c1-6-28(2)37-43(58)51-34(19-13-21-44-51)42(57)52-36(25-31(26-45-52)27-48(3)4)40(55)49(5)35(24-30-17-11-8-12-18-30)41(56)50-22-14-20-33(50)39(54)46-32(38(53)47-37)23-29-15-9-7-10-16-29/h7-12,15-18,21,26,28,31-37H,6,13-14,19-20,22-25,27H2,1-5H3,(H,46,54)(H,47,53)/t28-,31-,32-,33+,34-,35-,36+,37+/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Binding affinity against oxytocin receptor in rat uterus


J Med Chem 33: 2321-3 (1990)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM81893
PNG
(CAS_3083084 | L-366,811 | NSC_3083084)
Show SMILES CCC(C)C(N)C(=O)N(C(Cc1c[nH]c2ccccc12)C=O)C(=O)C1CCCN1C(=O)C(CC1=CC=CCC1(C(=O)N1CCNCC1)C(=O)N1CC=CC=C1)NC
Show InChI InChI=1S/C43H56N8O6/c1-4-29(2)37(44)40(55)51(32(28-52)25-30-27-47-34-15-7-6-14-33(30)34)39(54)36-16-12-22-50(36)38(53)35(45-3)26-31-13-8-9-17-43(31,41(56)48-20-10-5-11-21-48)42(57)49-23-18-46-19-24-49/h5-11,13-15,20,27-29,32,35-37,45-47H,4,12,16-19,21-26,44H2,1-3H3
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3.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 304-8 (1991)

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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3.40n/an/an/an/an/an/an/an/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)

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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3.60n/an/an/an/an/an/an/an/a



DrugMolDesign

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from oxytocin receptor in rat uterus tissue


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


(RAT)
BDBM50064734
PNG
(1-(1-{5-Fluoro-2-methoxy-4-[1-(2,4,6-trimethyl-1-o...)
Show SMILES COc1cc(OC2CCN(Cc3c(C)cc(C)[n+]([O-])c3C)CC2)c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C35H41FN4O6/c1-22-17-23(2)40(43)24(3)29(22)20-37-13-11-27(12-14-37)46-33-19-32(44-4)28(18-30(33)36)34(41)38-15-9-26(10-16-38)39-31-8-6-5-7-25(31)21-45-35(39)42/h5-8,17-19,26-27H,9-16,20-21H2,1-4H3
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4.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat oxytocin receptor (OT-R)


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


(RAT)
BDBM81893
PNG
(CAS_3083084 | L-366,811 | NSC_3083084)
Show SMILES CCC(C)C(N)C(=O)N(C(Cc1c[nH]c2ccccc12)C=O)C(=O)C1CCCN1C(=O)C(CC1=CC=CCC1(C(=O)N1CCNCC1)C(=O)N1CC=CC=C1)NC
Show InChI InChI=1S/C43H56N8O6/c1-4-29(2)37(44)40(55)51(32(28-52)25-30-27-47-34-15-7-6-14-33(30)34)39(54)36-16-12-22-50(36)38(53)35(45-3)26-31-13-8-9-17-43(31,41(56)48-20-10-5-11-21-48)42(57)49-23-18-46-19-24-49/h5-11,13-15,20,27-29,32,35-37,45-47H,4,12,16-19,21-26,44H2,1-3H3
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4.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 304-8 (1991)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50013636
PNG
(22-benzyl-13-(1H-3-indolylmethyl)-23-methyl-10-[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)[N@]2CCN(CC2)C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C43H56N8O6/c1-4-28(2)37-42(56)51-19-11-10-17-35(51)40(54)48-21-23-49(24-22-48)43(57)47(3)36(25-29-13-6-5-7-14-29)41(55)50-20-12-18-34(50)39(53)45-33(38(52)46-37)26-30-27-44-32-16-9-8-15-31(30)32/h5-9,13-16,27-28,33-37,44H,4,10-12,17-26H2,1-3H3,(H,45,53)(H,46,52)/t28-,33-,34+,35-,36-,37-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 33: 1843-5 (1990)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50064735
PNG
(1-(1-{4-[1-(2,4-Dimethyl-1-oxy-pyridin-3-ylmethyl)...)
Show SMILES COc1cc(OC2CCN(Cc3c(C)cc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C34H40N4O6/c1-23-10-19-37(41)24(2)30(23)21-35-15-13-27(14-16-35)44-28-8-9-29(32(20-28)42-3)33(39)36-17-11-26(12-18-36)38-31-7-5-4-6-25(31)22-43-34(38)40/h4-10,19-20,26-27H,11-18,21-22H2,1-3H3
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4.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat oxytocin receptor (OT-R)


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


(RAT)
BDBM81889
PNG
(Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-5-[(di...)
Show SMILES CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CC(CN(C)C)CNN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C43H59N9O6/c1-6-28(2)37-43(58)51-34(19-13-21-44-51)42(57)52-36(25-31(26-45-52)27-48(3)4)40(55)49(5)35(24-30-17-11-8-12-18-30)41(56)50-22-14-20-33(50)39(54)46-32(38(53)47-37)23-29-15-9-7-10-16-29/h7-12,15-18,21,28,31-37,45H,6,13-14,19-20,22-27H2,1-5H3,(H,46,54)(H,47,53)/t28?,31?,32-,33+,34+,35-,36+,37?/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 304-8 (1991)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50410625
PNG
(CHEMBL2113201)
Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28ClN5O5S/c1-32(2)16-5-17-38-21-12-14-22(15-13-21)39(36,37)33(20-10-8-19(28)9-11-20)18-25(34)30-31-26-23-6-3-4-7-24(23)29-27(26)35/h3-4,6-15H,5,16-18H2,1-2H3,(H,30,34)(H,29,31,35)
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4.60n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from rat oxytocin receptor expressed in HEK293-EBNA cells


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


(RAT)
BDBM50038602
PNG
(4-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-T...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C62H82N20O13/c1-81(52(87)33-38-13-19-39(20-14-38)79-80-70)49(32-37-17-23-41(84)24-18-37)59(94)78-46(31-35-8-3-2-4-9-35)56(91)73-43(25-26-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(11-6-28-72-62(68)69)60(95)82-29-7-12-48(82)58(93)74-42(10-5-27-71-61(66)67)54(89)76-45(53(65)88)30-36-15-21-40(83)22-16-36/h2-4,8-9,13-24,42-49,83-84H,5-7,10-12,25-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant at OT receptor of rat mamary glands


J Med Chem 37: 1841-9 (1994)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50064733
PNG
(1-(1-{5-Fluoro-2-methoxy-4-[1-(2-methyl-1-oxy-pyri...)
Show SMILES COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C)CC2)c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C33H37FN4O6/c1-22-23(7-5-13-37(22)41)20-35-14-11-26(12-15-35)44-31-19-30(42-2)27(18-28(31)34)32(39)36-16-9-25(10-17-36)38-29-8-4-3-6-24(29)21-43-33(38)40/h3-8,13,18-19,25-26H,9-12,14-17,20-21H2,1-2H3
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5.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat oxytocin receptor (OT-R)


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


(RAT)
BDBM50013628
PNG
(24-(1H-5-imidazolylmethyl)-16-(1H-3-indolylmethyl)...)
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]2CCNCN2C1=O
Show InChI InChI=1S/C39H52N10O6/c1-3-23(2)33-39(55)49-22-40-14-13-32(49)38(54)48-15-7-6-11-30(48)36(52)45-29(18-25-20-41-21-43-25)37(53)47-16-8-12-31(47)35(51)44-28(34(50)46-33)17-24-19-42-27-10-5-4-9-26(24)27/h4-5,9-10,19-21,23,28-33,40,42H,3,6-8,11-18,22H2,1-2H3,(H,41,43)(H,44,51)(H,45,52)(H,46,50)/t23-,28-,29-,30+,31+,32-,33-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 33: 1843-5 (1990)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50013630
PNG
(16,24-dibenzyl-25-methyl-13-[1-methyl-(1S)-propyl]...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCNCN2C1=O
Show InChI InChI=1S/C41H55N7O6/c1-4-27(2)35-41(54)48-26-42-21-20-33(48)39(52)47-22-12-11-18-32(47)38(51)45(3)34(25-29-16-9-6-10-17-29)40(53)46-23-13-19-31(46)37(50)43-30(36(49)44-35)24-28-14-7-5-8-15-28/h5-10,14-17,27,30-35,42H,4,11-13,18-26H2,1-3H3,(H,43,50)(H,44,49)/t27-,30+,31-,32-,33+,34+,35+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 33: 1843-5 (1990)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM81890
PNG
(CAS_196819 | L-366,682 | NSC_196819)
Show SMILES CC(C=C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C(N)Cc1cnc[nH]1)C(=O)N1CCCCC1(C=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C40H53N9O6/c1-3-26(2)34(38(54)49-19-10-7-15-40(49,24-50)39(55)47-16-8-4-9-17-47)46-35(51)32(20-27-22-43-31-13-6-5-12-29(27)31)45-36(52)33-14-11-18-48(33)37(53)30(41)21-28-23-42-25-44-28/h3,5-6,12-13,22-26,30,32-34,43H,1,4,7-11,14-21,41H2,2H3,(H,42,44)(H,45,52)(H,46,51)
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6n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 304-8 (1991)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50001307
PNG
(18-(3-Amino-propyl)-6,15-dibenzyl-3-sec-butyl-16-m...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C40H54N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)37(51)43-29(18-11-21-41)38(52)46(3)33(25-28-16-9-6-10-17-28)39(53)47-23-13-20-31(47)36(50)44-30(35(49)45-34)24-27-14-7-5-8-15-27/h5-10,14-17,22,26,29-34H,4,11-13,18-21,23-25,41H2,1-3H3,(H,43,51)(H,44,50)(H,45,49)/t26-,29-,30+,31-,32+,33+,34-/m0/s1
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6n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50077034
PNG
(1-(1-{2-[2-(2,2,2-Trifluoro-ethoxy)-phenyl]-acetyl...)
Show SMILES FC(F)(F)COc1ccccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C23H23F3N2O4/c24-23(25,26)15-32-20-8-4-2-5-16(20)13-21(29)27-11-9-18(10-12-27)28-19-7-3-1-6-17(19)14-31-22(28)30/h1-8,18H,9-15H2
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6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)


Bioorg Med Chem Lett 9: 1311-6 (1999)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50368435
PNG
(CHEMBL1790937)
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]2CCCCN2C1=O
Show InChI InChI=1S/C40H53N9O6/c1-3-24(2)34-40(55)49-17-9-7-14-33(49)39(54)48-16-8-6-13-31(48)37(52)45-30(20-26-22-41-23-43-26)38(53)47-18-10-15-32(47)36(51)44-29(35(50)46-34)19-25-21-42-28-12-5-4-11-27(25)28/h4-5,11-12,21-24,29-34,42H,3,6-10,13-20H2,1-2H3,(H,41,43)(H,44,51)(H,45,52)(H,46,50)/t24-,29-,30-,31+,32+,33-,34+/m1/s1
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6n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50056797
PNG
(CHEMBL352836 | Oxytocin Trisulfide)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSSC[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/C43H65N11O12S3/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-69-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1
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Article
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6n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Oxytocin receptor was determined in rat uterine membrane using radioligand [3H]-oxytocin


Citation and Details
More data for this
Ligand-Target Pair
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