BindingDB logo
myBDB logout

PubMed code 1331449

Compile Data Set for Download or QSAR

Found 268 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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:24|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:19|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:19|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:19|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:19|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:16|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:20|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:21|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:18|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:19|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:19|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b/V2 receptor


(RAT-Rattus norvegicus (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 |c:16|
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 790n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]vasopressin to vasopressin receptor 1 in rat liver

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:26|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:16|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:18|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:17|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:24|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:19|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:19|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:19|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:19|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:19|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:19|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:19|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:19|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:10|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:21|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b/V2 receptor


(RAT-Rattus norvegicus (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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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]vasopressin to vasopressin receptor 1 in rat liver

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:18|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b/V2 receptor


(RAT-Rattus norvegicus (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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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]vasopressin to vasopressin receptor 1 in rat liver

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:8|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:19|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:18|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b/V2 receptor


(RAT-Rattus norvegicus (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 |c:21|
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]vasopressin to vasopressin receptor 1 in rat liver

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:17|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:19|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:6|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
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 |c:8|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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

J Med Chem 35: 3919-27 (1992)


BindingDB Entry DOI: 10.7270/Q2N015G7
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 268 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%