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PubMed code 1331449

Compile data set for download or QSAR
Found 101 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Oxytocin receptor


(RAT)
BDBM50001404
PNG
((1R-enantiomer)2-[7,7-dimethyl-2-oxo-(1S,4R)-bicyc...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](O)C2
Show InChI InChI=1S/C23H33NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-6,18,20,25H,7-16H2,1-2H3/t18?,20-,23-/m1/s1
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n/an/a 340n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001348
PNG
(CHEMBL130695 | methyl 2-[2-hydroxy-7,7-dimethyl-1-...)
Show SMILES COC(=O)C[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C
Show InChI InChI=1S/C26H35NO5S/c1-23(2)20-9-11-25(23,26(29,16-20)17-22(28)32-3)18-33(30,31)27-14-12-24(13-15-27)10-8-19-6-4-5-7-21(19)24/h4-8,10,20,29H,9,11-18H2,1-3H3/t20?,25-,26-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001396
PNG
(7,7-dimethyl-2-phenyl-1-spiro[1H-indene-1,4'-(hexa...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@](O)(C2)c1ccccc1
Show InChI InChI=1S/C29H35NO3S/c1-26(2)24-13-15-28(26,29(31,20-24)23-9-4-3-5-10-23)21-34(32,33)30-18-16-27(17-19-30)14-12-22-8-6-7-11-25(22)27/h3-12,14,24,31H,13,15-21H2,1-2H3/t24?,28-,29-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001372
PNG
(7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyri...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@H](O)C2
Show InChI InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18,20,25H,8,10-16H2,1-2H3/t18?,20-,23-/m1/s1
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n/an/a 470n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001343
PNG
(1-[5,6-difluorospiro[1H-indene-1,4'-(hexahydropyri...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccc(F)cc31)[C@H](O)C2
Show InChI InChI=1S/C23H30FNO3S/c1-21(2)17-6-8-23(21,20(26)13-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-3-4-18(24)14-19(16)22/h3-5,7,14,17,20,26H,6,8-13,15H2,1-2H3/t17?,20-,23-/m1/s1
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n/an/a 560n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001354
PNG
(1-[5,6-difluorospiro[1H-indene-1,4'-(hexahydropyri...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1cc(F)ccc31)[C@H](O)C2
Show InChI InChI=1S/C23H30FNO3S/c1-21(2)17-6-8-23(21,20(26)14-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-13-18(24)3-4-19(16)22/h3-5,7,13,17,20,26H,6,8-12,14-15H2,1-2H3/t17?,20-,23-/m1/s1
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n/an/a 560n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001382
PNG
(3,7,7-trimethyl-1-spiro[1H-indene-1,4'-(hexahydrop...)
Show SMILES C[C@H]1[C@H](O)[C@]2(CS(=O)(=O)N3CCC4(CC3)C=Cc3ccccc43)CCC1C2(C)C
Show InChI InChI=1S/C24H33NO3S/c1-17-19-9-11-24(21(17)26,22(19,2)3)16-29(27,28)25-14-12-23(13-15-25)10-8-18-6-4-5-7-20(18)23/h4-8,10,17,19,21,26H,9,11-16H2,1-3H3/t17-,19?,21+,24-/m1/s1
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n/an/a 590n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001361
PNG
(2,7,7-trimethyl-1-spiro[1H-indene-1,4'-(hexahydrop...)
Show SMILES C[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C
Show InChI InChI=1S/C24H33NO3S/c1-21(2)19-9-11-24(21,22(3,26)16-19)17-29(27,28)25-14-12-23(13-15-25)10-8-18-6-4-5-7-20(18)23/h4-8,10,19,26H,9,11-17H2,1-3H3/t19?,22-,24+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001409
PNG
(2-ethyl-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexah...)
Show SMILES CC[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C
Show InChI InChI=1S/C25H35NO3S/c1-4-25(27)17-20-10-12-24(25,22(20,2)3)18-30(28,29)26-15-13-23(14-16-26)11-9-19-7-5-6-8-21(19)23/h5-9,11,20,27H,4,10,12-18H2,1-3H3/t20?,24-,25+/m0/s1
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n/an/a 630n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001377
PNG
((1S-enantiomer)2-[7,7-dimethyl-2-oxo-(1S,4R)-bicyc...)
Show SMILES CC1(C)C2CC[C@@]1(CC(=O)N1CCC3(CC1)C=Cc1ccccc31)C(=O)C2
Show InChI InChI=1S/C24H29NO2/c1-22(2)18-8-10-24(22,20(26)15-18)16-21(27)25-13-11-23(12-14-25)9-7-17-5-3-4-6-19(17)23/h3-7,9,18H,8,10-16H2,1-2H3/t18?,24-/m1/s1
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n/an/a 760n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001390
PNG
(2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CC#N)C2
Show InChI InChI=1S/C25H32N2O3S/c1-22(2)20-8-10-24(22,25(28,17-20)11-14-26)18-31(29,30)27-15-12-23(13-16-27)9-7-19-5-3-4-6-21(19)23/h3-7,9,20,28H,8,10-13,15-18H2,1-2H3/t20?,24-,25+/m0/s1
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n/an/a 770n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001352
PNG
(2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CC(O)=O)C2
Show InChI InChI=1S/C25H33NO5S/c1-22(2)19-8-10-24(22,25(29,15-19)16-21(27)28)17-32(30,31)26-13-11-23(12-14-26)9-7-18-5-3-4-6-20(18)23/h3-7,9,19,29H,8,10-17H2,1-2H3,(H,27,28)/t19?,24-,25-/m0/s1
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n/an/a 780n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001339
PNG
(CHEMBL338409 | ethyl 2-[2-hydroxy-7,7-dimethyl-1-s...)
Show SMILES CCOC(=O)C(C)[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C
Show InChI InChI=1S/C28H39NO5S/c1-5-34-24(30)20(2)28(31)18-22-11-13-27(28,25(22,3)4)19-35(32,33)29-16-14-26(15-17-29)12-10-21-8-6-7-9-23(21)26/h6-10,12,20,22,31H,5,11,13-19H2,1-4H3/t20?,22?,27-,28-/m0/s1
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n/an/a 890n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001365
PNG
(3,7,7-trimethyl-1-spiro[1H-indene-1,4'-(hexahydrop...)
Show SMILES C[C@@H]1[C@@H](O)[C@]2(CS(=O)(=O)N3CCC4(CC3)C=Cc3ccccc43)CCC1C2(C)C
Show InChI InChI=1S/C24H33NO3S/c1-17-19-9-11-24(21(17)26,22(19,2)3)16-29(27,28)25-14-12-23(13-15-25)10-8-18-6-4-5-7-20(18)23/h4-8,10,17,19,21,26H,9,11-16H2,1-3H3/t17-,19?,21+,24+/m0/s1
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n/an/a 980n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001386
PNG
((exo)-7,7-dimethyl-1-spiro[1,2,3,4-tetrahydronapht...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc34)CC1)[C@@H](O)C2
Show InChI InChI=1S/C24H35NO3S/c1-22(2)19-9-11-24(22,21(26)16-19)17-29(27,28)25-14-12-23(13-15-25)10-5-7-18-6-3-4-8-20(18)23/h3-4,6,8,19,21,26H,5,7,9-17H2,1-2H3/t19?,21-,24+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001400
PNG
(7,7-dimethyl-1-spiro[1,2,3,4-tetrahydronaphthalene...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc34)CC1)C(=O)C2
Show InChI InChI=1S/C24H33NO3S/c1-22(2)19-9-11-24(22,21(26)16-19)17-29(27,28)25-14-12-23(13-15-25)10-5-7-18-6-3-4-8-20(18)23/h3-4,6,8,19H,5,7,9-17H2,1-2H3/t19?,24-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001363
PNG
((1R-enantiomer)7,7-dimethyl-1-spiro[2,3-dihydro-1H...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C(=O)C2
Show InChI InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-6,18H,7-16H2,1-2H3/t18?,23-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001340
PNG
(1'-(4-bromophenylsulfonyl)spiro[1H-indene-1,4'-(he...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C19H18BrNO2S/c20-16-5-7-17(8-6-16)24(22,23)21-13-11-19(12-14-21)10-9-15-3-1-2-4-18(15)19/h1-10H,11-14H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001412
PNG
(3,7,7-trimethyl-1-spiro[1H-indene-1,4'-(hexahydrop...)
Show SMILES CC1C2CC[C@@](CS(=O)(=O)N3CCC4(CC3)C=Cc3ccccc43)(C1=O)C2(C)C
Show InChI InChI=1S/C24H31NO3S/c1-17-19-9-11-24(21(17)26,22(19,2)3)16-29(27,28)25-14-12-23(13-15-25)10-8-18-6-4-5-7-20(18)23/h4-8,10,17,19H,9,11-16H2,1-3H3/t17?,19?,24-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001383
PNG
(2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(...)
Show SMILES CC(C(O)=O)[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C
Show InChI InChI=1S/C26H35NO5S/c1-18(22(28)29)26(30)16-20-9-11-25(26,23(20,2)3)17-33(31,32)27-14-12-24(13-15-27)10-8-19-6-4-5-7-21(19)24/h4-8,10,18,20,30H,9,11-17H2,1-3H3,(H,28,29)/t18?,20?,25-,26-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001397
PNG
((1S-enantiomer)7,7-dimethyl-1-spiro[1H-indene-1,4'...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C(=O)C2
Show InChI InChI=1S/C23H29NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18H,8,10-16H2,1-2H3/t18?,23-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001418
PNG
(1-[5,6-difluorospiro[1H-indene-1,4'-(hexahydropyri...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccc(F)cc31)[C@@H](O)C2
Show InChI InChI=1S/C23H30FNO3S/c1-21(2)17-6-8-23(21,20(26)13-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-3-4-18(24)14-19(16)22/h3-5,7,14,17,20,26H,6,8-13,15H2,1-2H3/t17?,20-,23+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001359
PNG
(1-[5,6-difluorospiro[1H-indene-1,4'-(hexahydropyri...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1cc(F)ccc31)[C@@H](O)C2
Show InChI InChI=1S/C23H30FNO3S/c1-21(2)17-6-8-23(21,20(26)14-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-13-18(24)3-4-19(16)22/h3-5,7,13,17,20,26H,6,8-12,14-15H2,1-2H3/t17?,20-,23+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001406
PNG
((endo)-7,7-dimethyl-1-spiro[1,2,3,4-tetrahydronaph...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc34)CC1)[C@H](O)C2
Show InChI InChI=1S/C24H35NO3S/c1-22(2)19-9-11-24(22,21(26)16-19)17-29(27,28)25-14-12-23(13-15-25)10-5-7-18-6-3-4-8-20(18)23/h3-4,6,8,19,21,26H,5,7,9-17H2,1-2H3/t19?,21-,24-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001392
PNG
(C-(7,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-1-yl)-N-(...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)NCCC1CCc3ccccc13)C(=O)C2
Show InChI InChI=1S/C21H29NO3S/c1-20(2)17-9-11-21(20,19(23)13-17)14-26(24,25)22-12-10-16-8-7-15-5-3-4-6-18(15)16/h3-6,16-17,22H,7-14H2,1-2H3/t16?,17?,21-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001347
PNG
(7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(h...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@H](O)C2
Show InChI InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18,20,25H,8,10-16H2,1-2H3/t18?,20-,23+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001423
PNG
(1-[5,6-difluorospiro[2,3-dihydro-1H-indene-1,4'-(h...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccc(F)cc31)C(=O)C2
Show InChI InChI=1S/C23H28FNO3S/c1-21(2)17-6-8-23(21,20(26)13-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-3-4-18(24)14-19(16)22/h3-5,7,14,17H,6,8-13,15H2,1-2H3/t17?,23-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001368
PNG
(1-[5,6-difluorospiro[2,3-dihydro-1H-indene-1,4'-(h...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1cc(F)ccc31)C(=O)C2
Show InChI InChI=1S/C23H28FNO3S/c1-21(2)17-6-8-23(21,20(26)14-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-13-18(24)3-4-19(16)22/h3-5,7,13,17H,6,8-12,14-15H2,1-2H3/t17?,23-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001394
PNG
((1R-enantiomer)7,7-dimethyl-1-spiro[1H-indene-1,4'...)
Show SMILES CC1(C)C2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C(=O)C2
Show InChI InChI=1S/C23H29NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18H,8,10-16H2,1-2H3/t18?,23-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001413
PNG
(7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyri...)
Show SMILES CC1(C)C2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@H](O)C2
Show InChI InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18,20,25H,8,10-16H2,1-2H3/t18?,20-,23+/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001432
PNG
(1'-(2-naphthylsulfonyl)spiro[1H-indene-1,4'-(hexah...)
Show SMILES O=S(=O)(N1CCC2(CC1)C=Cc1ccccc21)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H21NO2S/c25-27(26,21-10-9-18-5-1-2-7-20(18)17-21)24-15-13-23(14-16-24)12-11-19-6-3-4-8-22(19)23/h1-12,17H,13-16H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for half-maximal inhibition of binding of [3H]-Oxytocin to Oxytocin receptor in rat uterine tissue


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


(RAT)
BDBM50001401
PNG
(CHEMBL126565 | methyl 2-spiro[1H-indene-1,4'-(hexa...)
Show SMILES COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C21H21NO4S/c1-26-20(23)17-7-3-5-9-19(17)27(24,25)22-14-12-21(13-15-22)11-10-16-6-2-4-8-18(16)21/h2-11H,12-15H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001358
PNG
(1N-[7,7-dimethyl-3-oxo-4-spiro[2,3-dihydro-1H-inde...)
Show SMILES CC(C)C(=O)NC1C2CC[C@@](CS(=O)(=O)N3CCC4(CCc5ccccc45)CC3)(C1=O)C2(C)C
Show InChI InChI=1S/C27H38N2O4S/c1-18(2)24(31)28-22-21-10-12-27(23(22)30,25(21,3)4)17-34(32,33)29-15-13-26(14-16-29)11-9-19-7-5-6-8-20(19)26/h5-8,18,21-22H,9-17H2,1-4H3,(H,28,31)/t21?,22?,27-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001349
PNG
(3,3,-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(...)
Show SMILES CC1(C)C2CC[C@](CS(=O)(=O)N3CCC4(CCc5ccccc45)CC3)(C2)C1O
Show InChI InChI=1S/C23H33NO3S/c1-21(2)18-8-10-23(15-18,20(21)25)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-6,18,20,25H,7-16H2,1-2H3/t18?,20?,23-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001366
PNG
(1N-[7,7-dimethyl-3-oxo-4-spiro[2,3-dihydro-1H-inde...)
Show SMILES CC(=O)NC1C2CC[C@@](CS(=O)(=O)N3CCC4(CCc5ccccc45)CC3)(C1=O)C2(C)C
Show InChI InChI=1S/C25H34N2O4S/c1-17(28)26-21-20-9-11-25(22(21)29,23(20,2)3)16-32(30,31)27-14-12-24(13-15-27)10-8-18-6-4-5-7-19(18)24/h4-7,20-21H,8-16H2,1-3H3,(H,26,28)/t20?,21?,25-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001403
PNG
(3-ethyl-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexah...)
Show SMILES CC1(C)C2CC[C@@](CS(=O)(=O)N3CCC4(CC3)C=Cc3ccccc43)(C1=O)C2(C)C
Show InChI InChI=1S/C25H33NO3S/c1-22(2)20-10-12-25(21(22)27,23(20,3)4)17-30(28,29)26-15-13-24(14-16-26)11-9-18-7-5-6-8-19(18)24/h5-9,11,20H,10,12-17H2,1-4H3/t20?,25-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001356
PNG
((1S-enantiomer)7,7-dimethyl-1-[3'-methylspiro[1H-i...)
Show SMILES CC1CN(CCC11C=Cc2ccccc12)S(=O)(=O)C[C@]12CCC(CC1=O)C2(C)C
Show InChI InChI=1S/C24H31NO3S/c1-17-15-25(13-12-23(17)10-8-18-6-4-5-7-20(18)23)29(27,28)16-24-11-9-19(14-21(24)26)22(24,2)3/h4-8,10,17,19H,9,11-16H2,1-3H3/t17?,19?,23?,24-/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001395
PNG
(7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyri...)
Show SMILES CC1(C)C2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@H](O)C2
Show InChI InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18,20,25H,8,10-16H2,1-2H3/t18?,20-,23-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001405
PNG
(1'-(4-methylphenylsulfonyl)spiro[1H-indene-1,4'-(h...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C20H21NO2S/c1-16-6-8-18(9-7-16)24(22,23)21-14-12-20(13-15-21)11-10-17-4-2-3-5-19(17)20/h2-11H,12-15H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001337
PNG
(1-[2,3-dibromospiro[2,3-dihydro-1H-indene-1,4'-(he...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C(Br)C(Br)c1ccccc31)C(=O)C2
Show InChI InChI=1S/C23H29Br2NO3S/c1-21(2)15-7-8-23(21,18(27)13-15)14-30(28,29)26-11-9-22(10-12-26)17-6-4-3-5-16(17)19(24)20(22)25/h3-6,15,19-20H,7-14H2,1-2H3/t15?,19?,20?,23-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for half-maximal inhibition of binding of [3H]-Oxytocin to Oxytocin receptor in rat uterine tissue


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


(RAT)
BDBM50001424
PNG
(2-phenyl-1-spiro[1H-indene-1,4'-(hexahydropyridine...)
Show SMILES O=C(Cc1ccccc1)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C21H21NO/c23-20(16-17-6-2-1-3-7-17)22-14-12-21(13-15-22)11-10-18-8-4-5-9-19(18)21/h1-11H,12-16H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001341
PNG
(CHEMBL434825 | ethyl 3-methyl-1-(4-methylphenylsul...)
Show SMILES CCOC(=O)C1(CCN(CC1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C22H27NO4S/c1-4-27-21(24)22(19-8-6-5-7-9-19)14-15-23(16-18(22)3)28(25,26)20-12-10-17(2)11-13-20/h5-13,18H,4,14-16H2,1-3H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001357
PNG
(1'-(4-methylphenylsulfonyl)spiro[2,3-dihydro-1H-in...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C20H23NO2S/c1-16-6-8-18(9-7-16)24(22,23)21-14-12-20(13-15-21)11-10-17-4-2-3-5-19(17)20/h2-9H,10-15H2,1H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001346
PNG
(1'-(4-methoxyphenylsulfonyl)spiro[2,3-dihydro-1H-i...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C20H21NO3S/c1-24-17-6-8-18(9-7-17)25(22,23)21-14-12-20(13-15-21)11-10-16-4-2-3-5-19(16)20/h2-11H,12-15H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001376
PNG
(1-[4,7-dimethylspiro[1H-indene-1,4'-(hexahydropyri...)
Show SMILES Cc1cccc2c1C=CC21CCN(CC1)S(=O)(=O)C[C@]12CCC(CC1=O)C2(C)C
Show InChI InChI=1S/C24H31NO3S/c1-17-5-4-6-20-19(17)8-9-23(20)11-13-25(14-12-23)29(27,28)16-24-10-7-18(15-21(24)26)22(24,2)3/h4-6,8-9,18H,7,10-16H2,1-3H3/t18?,24-/m1/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001362
PNG
(1-[4,7-dimethylspiro[1H-indene-1,4'-(hexahydropyri...)
Show SMILES Cc1cccc2C=CC3(CCN(CC3)S(=O)(=O)C[C@]34CCC(CC3=O)C4(C)C)c12
Show InChI InChI=1S/C24H31NO3S/c1-17-5-4-6-18-7-9-23(21(17)18)11-13-25(14-12-23)29(27,28)16-24-10-8-19(15-20(24)26)22(24,2)3/h4-7,9,19H,8,10-16H2,1-3H3/t19?,24-/m1/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001417
PNG
(2-[(1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl...)
Show SMILES O=C1CCCCC1CS(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C20H25NO3S/c22-19-8-4-2-6-17(19)15-25(23,24)21-13-11-20(12-14-21)10-9-16-5-1-3-7-18(16)20/h1,3,5,7,9-10,17H,2,4,6,8,11-15H2
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n/an/a 6.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001375
PNG
(1'-[7,7-dimethyl-2-oxo-(1S,4R)-bicyclo[2.2.1]hept-...)
Show SMILES CN1C(=O)C2(CCN(CC2)S(=O)(=O)C[C@]23CCC(CC2=O)C3(C)C)c2ccccc12
Show InChI InChI=1S/C23H30N2O4S/c1-21(2)16-8-9-23(21,19(26)14-16)15-30(28,29)25-12-10-22(11-13-25)17-6-4-5-7-18(17)24(3)20(22)27/h4-7,16H,8-15H2,1-3H3/t16?,23-/m1/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001410
PNG
(1'-(4-fluorophenylsulfonyl)spiro[1H-indene-1,4'-(h...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C19H18FNO2S/c20-16-5-7-17(8-6-16)24(22,23)21-13-11-19(12-14-21)10-9-15-3-1-2-4-18(15)19/h1-10H,11-14H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001393
PNG
(1-[5,6-dichlorospiro[2,3-dihydro-1H-indene-1,4'-(h...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccc(Cl)cc31)C(=O)C2
Show InChI InChI=1S/C23H28ClNO3S/c1-21(2)17-6-8-23(21,20(26)13-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-3-4-18(24)14-19(16)22/h3-5,7,14,17H,6,8-13,15H2,1-2H3/t17?,23-/m1/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001408
PNG
(1-[5,6-dichlorospiro[2,3-dihydro-1H-indene-1,4'-(h...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1cc(Cl)ccc31)C(=O)C2
Show InChI InChI=1S/C23H28ClNO3S/c1-21(2)17-6-8-23(21,20(26)14-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-13-18(24)3-4-19(16)22/h3-5,7,13,17H,6,8-12,14-15H2,1-2H3/t17?,23-/m1/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001416
PNG
((1S-enantiomer)7,7-dimethyl-1-[3'-phenylspiro[1H-i...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc34)C(C1)c1ccccc1)C(=O)C2
Show InChI InChI=1S/C29H33NO3S/c1-27(2)23-13-15-29(27,26(31)18-23)20-34(32,33)30-17-16-28(14-12-22-10-6-7-11-24(22)28)25(19-30)21-8-4-3-5-9-21/h3-12,14,23,25H,13,15-20H2,1-2H3/t23?,25?,28?,29-/m1/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50406699
PNG
(CHEMBL2111847)
Show SMILES CC1(C)C2CC[C@]1(CC(=O)N1CCC3(CC1)C=Cc1ccccc31)C(=O)C2
Show InChI InChI=1S/C24H29NO2/c1-22(2)18-8-10-24(22,20(26)15-18)16-21(27)25-13-11-23(12-14-25)9-7-17-5-3-4-6-19(17)23/h3-7,9,18H,8,10-16H2,1-2H3/t18?,24-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001355
PNG
(CHEMBL126194 | N-Ethyl-N-(2-indan-1-yl-ethyl)-4-me...)
Show SMILES CCN(CCC1CCc2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H25NO2S/c1-3-21(24(22,23)19-12-8-16(2)9-13-19)15-14-18-11-10-17-6-4-5-7-20(17)18/h4-9,12-13,18H,3,10-11,14-15H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001431
PNG
(1'-[2-phenyl-(E)-1-ethenylsulfonyl]spiro[1H-indene...)
Show SMILES O=S(=O)(\C=C\c1ccccc1)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C21H21NO2S/c23-25(24,17-11-18-6-2-1-3-7-18)22-15-13-21(14-16-22)12-10-19-8-4-5-9-20(19)21/h1-12,17H,13-16H2/b17-11+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for half-maximal inhibition of binding of [3H]-Oxytocin to Oxytocin receptor in rat uterine tissue


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


(RAT)
BDBM50001430
PNG
(1'N-(4-methylphenyl)spiro[1H-indene-1,4'-(hexahydr...)
Show SMILES Cc1ccc(NC(=O)N2CCC3(CC2)C=Cc2ccccc32)cc1
Show InChI InChI=1S/C21H22N2O/c1-16-6-8-18(9-7-16)22-20(24)23-14-12-21(13-15-23)11-10-17-4-2-3-5-19(17)21/h2-11H,12-15H2,1H3,(H,22,24)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001344
PNG
(CHEMBL126232 | N-(2-Indan-1-yl-ethyl)-4-methyl-ben...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCC1CCc2ccccc12
Show InChI InChI=1S/C18H21NO2S/c1-14-6-10-17(11-7-14)22(20,21)19-13-12-16-9-8-15-4-2-3-5-18(15)16/h2-7,10-11,16,19H,8-9,12-13H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001388
PNG
(7,7-dimethyl-1-[3-phenylspiro[1H-indene-1,4'-(hexa...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=C(c1ccccc31)c1ccccc1)C(=O)C2
Show InChI InChI=1S/C29H33NO3S/c1-27(2)22-12-13-29(27,26(31)18-22)20-34(32,33)30-16-14-28(15-17-30)19-24(21-8-4-3-5-9-21)23-10-6-7-11-25(23)28/h3-11,19,22H,12-18,20H2,1-2H3/t22?,29-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001379
PNG
(1-[5,6-dimethoxyspiro[1H-indene-1,4'-(hexahydropyr...)
Show SMILES COc1ccc2c(C=CC22CCN(CC2)S(=O)(=O)C[C@]23CCC(C[C@@H]2O)C3(C)C)c1
Show InChI InChI=1S/C24H33NO4S/c1-22(2)18-7-9-24(22,21(26)15-18)16-30(27,28)25-12-10-23(11-13-25)8-6-17-14-19(29-3)4-5-20(17)23/h4-6,8,14,18,21,26H,7,9-13,15-16H2,1-3H3/t18?,21-,24+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001433
PNG
(CHEMBL129413 | phenyl-spiro[1H-indene-1,4'-(hexahy...)
Show SMILES O=C(N1CCC2(CC1)C=Cc1ccccc21)c1ccccc1
Show InChI InChI=1S/C20H19NO/c22-19(17-7-2-1-3-8-17)21-14-12-20(13-15-21)11-10-16-6-4-5-9-18(16)20/h1-11H,12-15H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001428
PNG
(1-[5,6-dimethoxyspiro[1H-indene-1,4'-(hexahydropyr...)
Show SMILES COc1ccc2c(C=CC22CCN(CC2)S(=O)(=O)C[C@]23CCC(C[C@H]2O)C3(C)C)c1
Show InChI InChI=1S/C24H33NO4S/c1-22(2)18-7-9-24(22,21(26)15-18)16-30(27,28)25-12-10-23(11-13-25)8-6-17-14-19(29-3)4-5-20(17)23/h4-6,8,14,18,21,26H,7,9-13,15-16H2,1-3H3/t18?,21-,24-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001370
PNG
(1'-(2-bromophenylsulfonyl)spiro[1H-indene-1,4'-(he...)
Show SMILES Brc1ccccc1S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C19H18BrNO2S/c20-17-7-3-4-8-18(17)24(22,23)21-13-11-19(12-14-21)10-9-15-5-1-2-6-16(15)19/h1-10H,11-14H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001364
PNG
(7,7-dimethyl-1-spiro[9H-fluorene-9,4'-(hexahydropy...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)c1ccccc1-c1ccccc31)C(=O)C2
Show InChI InChI=1S/C27H31NO3S/c1-25(2)19-11-12-27(25,24(29)17-19)18-32(30,31)28-15-13-26(14-16-28)22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-10,19H,11-18H2,1-2H3/t19?,27-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001345
PNG
(1'-(3-methylphenylsulfonyl)spiro[1H-indene-1,4'-(h...)
Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C20H21NO2S/c1-16-5-4-7-18(15-16)24(22,23)21-13-11-20(12-14-21)10-9-17-6-2-3-8-19(17)20/h2-10,15H,11-14H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001389
PNG
(1'-phenylsulfonylspiro[1H-indene-1,4'-(hexahydropy...)
Show SMILES O=S(=O)(N1CCC2(CC1)C=Cc1ccccc21)c1ccccc1
Show InChI InChI=1S/C19H19NO2S/c21-23(22,17-7-2-1-3-8-17)20-14-12-19(13-15-20)11-10-16-6-4-5-9-18(16)19/h1-11H,12-15H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001380
PNG
(4-bromophenyl-spiro[1H-indene-1,4'-(hexahydropyrid...)
Show SMILES Brc1ccc(cc1)C(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C20H18BrNO/c21-17-7-5-16(6-8-17)19(23)22-13-11-20(12-14-22)10-9-15-3-1-2-4-18(15)20/h1-10H,11-14H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001422
PNG
(1'-(2-thienylsulfonyl)spiro[1H-indene-1,4'-(hexahy...)
Show SMILES O=S(=O)(N1CCC2(CC1)C=Cc1ccccc21)c1cccs1
Show InChI InChI=1S/C17H17NO2S2/c19-22(20,16-6-3-13-21-16)18-11-9-17(10-12-18)8-7-14-4-1-2-5-15(14)17/h1-8,13H,9-12H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001425
PNG
(1'N-(2-adamantyl)spiro[1H-indene-1,4'-(hexahydropy...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C24H30N2O/c27-23(25-22-19-12-16-11-17(14-19)15-20(22)13-16)26-9-7-24(8-10-26)6-5-18-3-1-2-4-21(18)24/h1-6,16-17,19-20,22H,7-15H2,(H,25,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001350
PNG
(1-[4,7-dichlorospiro[1H-indene-1,4'-(hexahydropyri...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1cccc(Cl)c31)C(=O)C2
Show InChI InChI=1S/C23H28ClNO3S/c1-21(2)17-7-9-23(21,19(26)14-17)15-29(27,28)25-12-10-22(11-13-25)8-6-16-4-3-5-18(24)20(16)22/h3-6,8,17H,7,9-15H2,1-2H3/t17?,23-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001414
PNG
(4,4-Diphenyl-1-(toluene-4-sulfonyl)-piperidine | C...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2S/c1-20-12-14-23(15-13-20)28(26,27)25-18-16-24(17-19-25,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15H,16-19H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001415
PNG
(1-[5,6-dimethoxyspiro[1H-indene-1,4'-(hexahydropyr...)
Show SMILES COc1ccc2C=CC3(CCN(CC3)S(=O)(=O)C[C@]34CCC(C[C@@H]3O)C4(C)C)c2c1
Show InChI InChI=1S/C24H33NO4S/c1-22(2)18-7-9-24(22,21(26)14-18)16-30(27,28)25-12-10-23(11-13-25)8-6-17-4-5-19(29-3)15-20(17)23/h4-6,8,15,18,21,26H,7,9-14,16H2,1-3H3/t18?,21-,24+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001427
PNG
(1'-benzylsulfonylspiro[1H-indene-1,4'-(hexahydropy...)
Show SMILES O=S(=O)(Cc1ccccc1)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C20H21NO2S/c22-24(23,16-17-6-2-1-3-7-17)21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20/h1-11H,12-16H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001434
PNG
(1'N-phenylspiro[1H-indene-1,4'-(hexahydropyridine)...)
Show SMILES O=C(Nc1ccccc1)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C20H20N2O/c23-19(21-17-7-2-1-3-8-17)22-14-12-20(13-15-22)11-10-16-6-4-5-9-18(16)20/h1-11H,12-15H2,(H,21,23)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001342
PNG
(7,7-dimethyl-1-spiro[bicyclo[4.3.0]non-8-ene-7,4'-...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=CC1CCCCC31)[C@H](O)C2
Show InChI InChI=1S/C23H37NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h7,9,17-20,25H,3-6,8,10-16H2,1-2H3/t17?,18?,19?,20-,23-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001360
PNG
(1'N-(1-adamantyl)spiro[1H-indene-1,4'-(hexahydropy...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C24H30N2O/c27-22(25-24-14-17-11-18(15-24)13-19(12-17)16-24)26-9-7-23(8-10-26)6-5-20-3-1-2-4-21(20)23/h1-6,17-19H,7-16H2,(H,25,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001371
PNG
(3,3-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(h...)
Show SMILES CC1(C)C2CC[C@](CS(=O)(=O)N3CCC4(CCc5ccccc45)CC3)(C2)C1=O
Show InChI InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(15-18,20(21)25)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-6,18H,7-16H2,1-2H3/t18?,23-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001374
PNG
(1-[5,6-dimethoxyspiro[1H-indene-1,4'-(hexahydropyr...)
Show SMILES COc1ccc2C=CC3(CCN(CC3)S(=O)(=O)C[C@]34CCC(C[C@H]3O)C4(C)C)c2c1
Show InChI InChI=1S/C24H33NO4S/c1-22(2)18-7-9-24(22,21(26)14-18)16-30(27,28)25-12-10-23(11-13-25)8-6-17-4-5-19(29-3)15-20(17)23/h4-6,8,15,18,21,26H,7,9-14,16H2,1-3H3/t18?,21-,24-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001399
PNG
(1-[5,6-dimethoxyspiro[2,3-dihydro-1H-indene-1,4'-(...)
Show SMILES COc1ccc2c(C=CC22CCN(CC2)S(=O)(=O)C[C@]23CCC(CC2=O)C3(C)C)c1
Show InChI InChI=1S/C24H31NO4S/c1-22(2)18-7-9-24(22,21(26)15-18)16-30(27,28)25-12-10-23(11-13-25)8-6-17-14-19(29-3)4-5-20(17)23/h4-6,8,14,18H,7,9-13,15-16H2,1-3H3/t18?,24-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001378
PNG
(1'-(4-nitrobenzylsulfonyl)spiro[1H-indene-1,4'-(he...)
Show SMILES [O-][N+](=O)c1ccc(CS(=O)(=O)N2CCC3(CC2)C=Cc2ccccc32)cc1
Show InChI InChI=1S/C20H20N2O4S/c23-22(24)18-7-5-16(6-8-18)15-27(25,26)21-13-11-20(12-14-21)10-9-17-3-1-2-4-19(17)20/h1-10H,11-15H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001411
PNG
((1S-enantiomer)1-(4,4-diphenylhexahydro-1-pyridiny...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC(CC1)(c1ccccc1)c1ccccc1)C(=O)C2
Show InChI InChI=1S/C27H33NO3S/c1-25(2)23-13-14-27(25,24(29)19-23)20-32(30,31)28-17-15-26(16-18-28,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,23H,13-20H2,1-2H3/t23?,27-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001381
PNG
(1'-(2-methylphenylsulfonyl)spiro[1H-indene-1,4'-(h...)
Show SMILES Cc1ccccc1S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C20H21NO2S/c1-16-6-2-5-9-19(16)24(22,23)21-14-12-20(13-15-21)11-10-17-7-3-4-8-18(17)20/h2-11H,12-15H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001387
PNG
(1'-(2-nitrophenylsulfonyl)spiro[1H-indene-1,4'-(he...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C19H18N2O4S/c22-21(23)17-7-3-4-8-18(17)26(24,25)20-13-11-19(12-14-20)10-9-15-5-1-2-6-16(15)19/h1-10H,11-14H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001384
PNG
(1'-(3-nitrophenylsulfonyl)spiro[1H-indene-1,4'-(he...)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C19H18N2O4S/c22-21(23)16-5-3-6-17(14-16)26(24,25)20-12-10-19(11-13-20)9-8-15-4-1-2-7-18(15)19/h1-9,14H,10-13H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001429
PNG
(4-methoxyphenyl-spiro[1H-indene-1,4'-(hexahydropyr...)
Show SMILES COc1ccc(cc1)C(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C21H21NO2/c1-24-18-8-6-17(7-9-18)20(23)22-14-12-21(13-15-22)11-10-16-4-2-3-5-19(16)21/h2-11H,12-15H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001351
PNG
(1-[5,6-dimethoxyspiro[2,3-dihydro-1H-indene-1,4'-(...)
Show SMILES COc1ccc2C=CC3(CCN(CC3)S(=O)(=O)C[C@]34CCC(CC3=O)C4(C)C)c2c1
Show InChI InChI=1S/C24H31NO4S/c1-22(2)18-7-9-24(22,21(26)14-18)16-30(27,28)25-12-10-23(11-13-25)8-6-17-4-5-19(29-3)15-20(17)23/h4-6,8,15,18H,7,9-14,16H2,1-3H3/t18?,24-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001369
PNG
(1-[4,7-dichlorospiro[1H-indene-1,4'-(hexahydropyri...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1c3cccc1Cl)C(=O)C2
Show InChI InChI=1S/C23H28ClNO3S/c1-21(2)16-6-9-23(21,20(26)14-16)15-29(27,28)25-12-10-22(11-13-25)8-7-17-18(22)4-3-5-19(17)24/h3-5,7-8,16H,6,9-15H2,1-2H3/t16?,23-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001373
PNG
(1'-(3-bromophenylsulfonyl)spiro[1H-indene-1,4'-(he...)
Show SMILES Brc1cccc(c1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C19H18BrNO2S/c20-16-5-3-6-17(14-16)24(22,23)21-12-10-19(11-13-21)9-8-15-4-1-2-7-18(15)19/h1-9,14H,10-13H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001402
PNG
(2-[2-oxo-2-(1'H-spiro[indene-1,4'-piperidin]-1'-yl...)
Show SMILES O=C(CC1CCCCC1=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C21H25NO2/c23-19-8-4-2-6-17(19)15-20(24)22-13-11-21(12-14-22)10-9-16-5-1-3-7-18(16)21/h1,3,5,7,9-10,17H,2,4,6,8,11-15H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001421
PNG
(4-Phenyl-1-(toluene-4-sulfonyl)-piperidine | CHEMB...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C18H21NO2S/c1-15-7-9-18(10-8-15)22(20,21)19-13-11-17(12-14-19)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001426
PNG
(1-[5,6-diphenylspiro[1H-indene-1,4'-(hexahydropyri...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1cc(ccc31)-c1ccccc1)C(=O)C2
Show InChI InChI=1S/C29H33NO3S/c1-27(2)24-11-13-29(27,26(31)19-24)20-34(32,33)30-16-14-28(15-17-30)12-10-23-18-22(8-9-25(23)28)21-6-4-3-5-7-21/h3-10,12,18,24H,11,13-17,19-20H2,1-2H3/t24?,29-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001336
PNG
(1'N-(4-nitrophenyl)spiro[1H-indene-1,4'-(hexahydro...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)N2CCC3(CC2)C=Cc2ccccc32)cc1
Show InChI InChI=1S/C20H19N3O3/c24-19(21-16-5-7-17(8-6-16)23(25)26)22-13-11-20(12-14-22)10-9-15-3-1-2-4-18(15)20/h1-10H,11-14H2,(H,21,24)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001391
PNG
(1-[5,6-diphenylspiro[1H-indene-1,4'-(hexahydropyri...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccc(cc31)-c1ccccc1)C(=O)C2
Show InChI InChI=1S/C29H33NO3S/c1-27(2)24-11-13-29(27,26(31)19-24)20-34(32,33)30-16-14-28(15-17-30)12-10-22-8-9-23(18-25(22)28)21-6-4-3-5-7-21/h3-10,12,18,24H,11,13-17,19-20H2,1-2H3/t24?,29-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001420
PNG
(1'-(4-nitrophenylsulfonyl)spiro[1H-indene-1,4'-(he...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C19H18N2O4S/c22-21(23)16-5-7-17(8-6-16)26(24,25)20-13-11-19(12-14-20)10-9-15-3-1-2-4-18(15)19/h1-10H,11-14H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001353
PNG
(2-cyclooctyl-1-spiro[1H-indene-1,4'-(hexahydropyri...)
Show SMILES O=C(CC1CCCCCCC1)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C23H31NO/c25-22(18-19-8-4-2-1-3-5-9-19)24-16-14-23(15-17-24)13-12-20-10-6-7-11-21(20)23/h6-7,10-13,19H,1-5,8-9,14-18H2
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n/an/a 2.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001398
PNG
(1'-butylsulfonylspiro[1H-indene-1,4'-(hexahydropyr...)
Show SMILES CCCCS(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C17H23NO2S/c1-2-3-14-21(19,20)18-12-10-17(11-13-18)9-8-15-6-4-5-7-16(15)17/h4-9H,2-3,10-14H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001385
PNG
(4-Phenyl-1-(toluene-4-sulfonyl)-piperidine-4-carbo...)
Show SMILES CCOC(=O)C1(CCN(CC1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C21H25NO4S/c1-3-26-20(23)21(18-7-5-4-6-8-18)13-15-22(16-14-21)27(24,25)19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50001337
PNG
(1-[2,3-dibromospiro[2,3-dihydro-1H-indene-1,4'-(he...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C(Br)C(Br)c1ccccc31)C(=O)C2
Show InChI InChI=1S/C23H29Br2NO3S/c1-21(2)15-7-8-23(21,18(27)13-15)14-30(28,29)26-11-9-22(10-12-26)17-6-4-3-5-16(17)19(24)20(22)25/h3-6,15,19-20H,7-14H2,1-2H3/t15?,19?,20?,23-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for half-maximal inhibition of binding of [3H]-Vasopressin to Vasopressin V2 receptor


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


(RAT)
BDBM50001338
PNG
(1'-methylsulfonylspiro[1H-indene-1,4'-(hexahydropy...)
Show SMILES CS(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21
Show InChI InChI=1S/C14H17NO2S/c1-18(16,17)15-10-8-14(9-11-15)7-6-12-4-2-3-5-13(12)14/h2-7H,8-11H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001367
PNG
(1'-(4-methylphenylsulfonyl)spiro[9H-fluorene-9,4'-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C24H23NO2S/c1-18-10-12-19(13-11-18)28(26,27)25-16-14-24(15-17-25)22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13H,14-17H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001419
PNG
(1-Phenyl-4-(toluene-4-sulfonyl)-piperazine | CHEMB...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C17H20N2O2S/c1-15-7-9-17(10-8-15)22(20,21)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


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


(RAT)
BDBM50001407
PNG
(1-[2,3-dihydroxyspiro[2,3-dihydro-1H-indene-1,4'-(...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C(O)C(O)c1ccccc31)C(=O)C2
Show InChI InChI=1S/C23H31NO5S/c1-21(2)15-7-8-23(21,18(25)13-15)14-30(28,29)24-11-9-22(10-12-24)17-6-4-3-5-16(17)19(26)20(22)27/h3-6,15,19-20,26-27H,7-14H2,1-2H3/t15?,19?,20?,23-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%