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Compile Data Set for Download or QSAR

Found 346 hits of ic50 for UniProtKB: P70536   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
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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n/an/a 0.700n/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)


BindingDB Entry DOI: 10.7270/Q27M070W
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)


BindingDB Entry DOI: 10.7270/Q27M070W
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 |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
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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)


BindingDB Entry DOI: 10.7270/Q21C1VZ0
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 |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
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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)


BindingDB Entry DOI: 10.7270/Q21C1VZ0
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)


BindingDB Entry DOI: 10.7270/Q27M070W
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)


BindingDB Entry DOI: 10.7270/Q27M070W
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)


BindingDB Entry DOI: 10.7270/Q2K64JP2
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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n/an/a 2.30n/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)


BindingDB Entry DOI: 10.7270/Q27M070W
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 |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
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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)


BindingDB Entry DOI: 10.7270/Q21C1VZ0
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 |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
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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)


BindingDB Entry DOI: 10.7270/Q27M070W
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 |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
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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)


BindingDB Entry DOI: 10.7270/Q21C1VZ0
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 |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
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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)


BindingDB Entry DOI: 10.7270/Q27M070W
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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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
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 |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
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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)


BindingDB Entry DOI: 10.7270/Q27M070W
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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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
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 |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
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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)


BindingDB Entry DOI: 10.7270/Q21C1VZ0
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 |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
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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)


BindingDB Entry DOI: 10.7270/Q27M070W
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 |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
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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)


BindingDB Entry DOI: 10.7270/Q2K64JP2
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)


BindingDB Entry DOI: 10.7270/Q27M070W
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)


BindingDB Entry DOI: 10.7270/Q27M070W
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 |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
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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)


BindingDB Entry DOI: 10.7270/Q27M070W
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 |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
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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

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
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 |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
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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)


BindingDB Entry DOI: 10.7270/Q27M070W
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 |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
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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)


BindingDB Entry DOI: 10.7270/Q27M070W
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)


BindingDB Entry DOI: 10.7270/Q2K64JP2
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
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
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 |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
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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

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
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 |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
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n/an/a 8.90n/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)


BindingDB Entry DOI: 10.7270/Q21C1VZ0
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

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
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 |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
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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)


BindingDB Entry DOI: 10.7270/Q21C1VZ0
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 |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
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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

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)		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)


BindingDB Entry DOI: 10.7270/Q2K64JP2
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

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
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)


BindingDB Entry DOI: 10.7270/Q27M070W
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]-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
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)


BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50285307
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 |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-/m1/s1
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n/an/a 12n/an/an/an/an/an/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)		BDBM50177595
PNG
((2S)-5-amino-2-{[(2S)-1-{[(4R,7S,10S,13S,16R)-13-[...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)cc1 |r|
Show InChI InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonism of OT-induced response at OT receptor in rat uterine strips

Bioorg Med Chem Lett 16: 954-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR
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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n/an/a 12n/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)


BindingDB Entry DOI: 10.7270/Q21C1VZ0
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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n/an/a 12n/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)


BindingDB Entry DOI: 10.7270/Q21C1VZ0
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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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)


BindingDB Entry DOI: 10.7270/Q27M070W
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)


BindingDB Entry DOI: 10.7270/Q27M070W
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 |TLB:27:25:1:5.4|
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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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)		BDBM50285310
PNG
(CHEMBL277022 | methyl 2-{1-[7,7-dimethyl-1-spiro[2...)
Show SMILES COC(=O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O
Show InChI InChI=1S/C30H41N3O6S/c1-28(2)21-9-11-30(28,24(16-21)33-25(34)17-23(27(33)36)31-18-26(35)39-3)19-40(37,38)32-14-12-29(13-15-32)10-8-20-6-4-5-7-22(20)29/h4-7,21,23-24,31H,8-19H2,1-3H3/t21?,23?,24-,30+/m0/s1
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n/an/a 13n/an/an/an/an/an/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)		BDBM50001313
PNG
(18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-16-methyl...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C46H61N7O6/c1-4-30(2)40-46(59)53-25-13-11-20-37(53)42(55)48-35(19-10-12-24-47)44(57)51(3)39(29-31-15-6-5-7-16-31)45(58)52-26-14-21-38(52)43(56)49-36(41(54)50-40)28-32-22-23-33-17-8-9-18-34(33)27-32/h5-9,15-18,22-23,27,30,35-40H,4,10-14,19-21,24-26,28-29,47H2,1-3H3,(H,48,55)(H,49,56)(H,50,54)/t30-,35-,36+,37+,38-,39+,40-/m0/s1
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n/an/a 13n/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)


BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50043118
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(Cc2cnc[nH]2)[nH]c1=O |TLB:27:25:1:5.4|
Show InChI InChI=1S/C30H39N5O4S/c1-28(2)21-8-10-30(28,25(15-21)35-26(36)24(33-27(35)37)16-22-17-31-19-32-22)18-40(38,39)34-13-11-29(12-14-34)9-7-20-5-3-4-6-23(20)29/h3-6,17,19,21,25,36H,7-16,18H2,1-2H3,(H,31,32)(H,33,37)/t21-,25+,30-/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)


BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50043123
PNG
(1N-(1H-1,2,3,4-tetraazol-5-yl)-2-{1-[7,7-dimethyl-...)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(CC(=O)Nc2nnn[nH]2)C1=O
Show InChI InChI=1S/C30H39N7O5S/c1-28(2)21-8-10-30(28,18-43(41,42)36-13-11-29(12-14-36)9-7-19-5-3-4-6-22(19)29)23(17-21)37-25(39)16-20(26(37)40)15-24(38)31-27-32-34-35-33-27/h3-6,20-21,23H,7-18H2,1-2H3,(H2,31,32,33,34,35,38)/t20?,21-,23+,30-/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)


BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50043118
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(Cc2cnc[nH]2)[nH]c1=O |TLB:27:25:1:5.4|
Show InChI InChI=1S/C30H39N5O4S/c1-28(2)21-8-10-30(28,25(15-21)35-26(36)24(33-27(35)37)16-22-17-31-19-32-22)18-40(38,39)34-13-11-29(12-14-34)9-7-20-5-3-4-6-23(20)29/h3-6,17,19,21,25,36H,7-16,18H2,1-2H3,(H,31,32)(H,33,37)/t21-,25+,30-/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)


BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50043077
PNG
(2-{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(CCS(N)(=O)=O)[nH]c1=O |TLB:27:25:1:5.4|
Show InChI InChI=1S/C28H40N4O6S2/c1-26(2)20-8-11-28(26,23(17-20)32-24(33)22(30-25(32)34)9-16-39(29,35)36)18-40(37,38)31-14-12-27(13-15-31)10-7-19-5-3-4-6-21(19)27/h3-6,20,23,33H,7-18H2,1-2H3,(H,30,34)(H2,29,35,36)/t20-,23+,28-/m1/s1
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n/an/a 13n/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)


BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50043118
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(Cc2cnc[nH]2)[nH]c1=O |TLB:27:25:1:5.4|
Show InChI InChI=1S/C30H39N5O4S/c1-28(2)21-8-10-30(28,25(15-21)35-26(36)24(33-27(35)37)16-22-17-31-19-32-22)18-40(38,39)34-13-11-29(12-14-34)9-7-20-5-3-4-6-23(20)29/h3-6,17,19,21,25,36H,7-16,18H2,1-2H3,(H,31,32)(H,33,37)/t21-,25+,30-/m1/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 13n/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)


BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
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