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Compile Data Set for Download or QSAR

Found 25 hits from Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Oxytocin receptor


(HEK293)
BDBM50100380
PNG
(5-Oxo-hexanoic acid (1-{[(S)-1-carbamoyl-2-(3,4-di...)
Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O
Show InChI InChI=1S/C32H31Cl2N5O5/c1-19(40)8-7-13-27(41)37-31-32(44)39(26-12-6-5-11-22(26)29(38-31)21-9-3-2-4-10-21)18-28(42)36-25(30(35)43)17-20-14-15-23(33)24(34)16-20/h2-6,9-12,14-16,25,31H,7-8,13,17-18H2,1H3,(H2,35,43)(H,36,42)(H,37,41)/t25-,31?/m0/s1
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PubMed
7.90n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218624
PNG
(CHEMBL24786)
Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C35H34N4O4/c1-24(40)11-9-20-31(41)37-34-35(43)39(30-19-8-7-18-29(30)33(38-34)27-13-3-2-4-14-27)23-32(42)36-22-21-26-16-10-15-25-12-5-6-17-28(25)26/h2-8,10,12-19,34H,9,11,20-23H2,1H3,(H,36,42)(H,37,41)
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16n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218626
PNG
(CHEMBL285312)
Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C35H34N4O4/c1-24(40)10-9-17-31(41)37-34-35(43)39(30-16-8-7-15-29(30)33(38-34)27-12-3-2-4-13-27)23-32(42)36-21-20-25-18-19-26-11-5-6-14-28(26)22-25/h2-8,11-16,18-19,22,34H,9-10,17,20-21,23H2,1H3,(H,36,42)(H,37,41)
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16n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218623
PNG
(CHEMBL278802)
Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C31H31ClN4O4/c1-21(37)9-7-16-27(38)34-30-31(40)36(20-28(39)33-18-17-22-10-8-13-24(32)19-22)26-15-6-5-14-25(26)29(35-30)23-11-3-2-4-12-23/h2-6,8,10-15,19,30H,7,9,16-18,20H2,1H3,(H,33,39)(H,34,38)
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20n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218617
PNG
(CHEMBL24806)
Show SMILES CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O
Show InChI InChI=1S/C28H25Cl2N5O4/c1-16(36)32-27-28(39)35(23-10-6-5-9-19(23)25(34-27)18-7-3-2-4-8-18)15-24(37)33-22(26(31)38)14-17-11-12-20(29)21(30)13-17/h2-13,22,27H,14-15H2,1H3,(H2,31,38)(H,32,36)(H,33,37)/t22-,27?/m0/s1
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25n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218605
PNG
(CHEMBL281403)
Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc(Cl)c(Cl)c2)C1=O
Show InChI InChI=1S/C31H30Cl2N4O4/c1-20(38)8-7-13-27(39)35-30-31(41)37(19-28(40)34-17-16-21-14-15-24(32)25(33)18-21)26-12-6-5-11-23(26)29(36-30)22-9-3-2-4-10-22/h2-6,9-12,14-15,18,30H,7-8,13,16-17,19H2,1H3,(H,34,40)(H,35,39)
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25n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218612
PNG
(CHEMBL277425)
Show SMILES CC(=O)CCCC(=O)NC1N=C(C2CCCCC2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O
Show InChI InChI=1S/C32H37Cl2N5O5/c1-19(40)8-7-13-27(41)37-31-32(44)39(26-12-6-5-11-22(26)29(38-31)21-9-3-2-4-10-21)18-28(42)36-25(30(35)43)17-20-14-15-23(33)24(34)16-20/h5-6,11-12,14-16,21,25,31H,2-4,7-10,13,17-18H2,1H3,(H2,35,43)(H,36,42)(H,37,41)/t25-,31?/m0/s1
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32n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218622
PNG
(CHEMBL25942)
Show SMILES NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)CN1c2ccccc2C(=NC(NC(=O)CN2CCOCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C32H32Cl2N6O5/c33-23-11-10-20(16-24(23)34)17-25(30(35)43)36-28(42)19-40-26-9-5-4-8-22(26)29(21-6-2-1-3-7-21)38-31(32(40)44)37-27(41)18-39-12-14-45-15-13-39/h1-11,16,25,31H,12-15,17-19H2,(H2,35,43)(H,36,42)(H,37,41)/t25-,31?/m0/s1
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40n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218607
PNG
(CHEMBL436540)
Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)C1=O
Show InChI InChI=1S/C32H32FN5O5/c1-20(39)8-7-13-27(40)36-31-32(43)38(19-28(41)35-25(30(34)42)18-21-14-16-23(33)17-15-21)26-12-6-5-11-24(26)29(37-31)22-9-3-2-4-10-22/h2-6,9-12,14-17,25,31H,7-8,13,18-19H2,1H3,(H2,34,42)(H,35,41)(H,36,40)/t25-,31?/m0/s1
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79n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218621
PNG
(CHEMBL24678)
Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCCc2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C32H33ClN4O4/c1-22(38)10-7-18-28(39)35-31-32(41)37(21-29(40)34-19-9-12-23-11-8-15-25(33)20-23)27-17-6-5-16-26(27)30(36-31)24-13-3-2-4-14-24/h2-6,8,11,13-17,20,31H,7,9-10,12,18-19,21H2,1H3,(H,34,40)(H,35,39)
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100n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218618
PNG
(CHEMBL24074)
Show SMILES CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C27H25ClN4O3/c1-18(33)30-26-27(35)32(17-24(34)29-15-14-19-8-7-11-21(28)16-19)23-13-6-5-12-22(23)25(31-26)20-9-3-2-4-10-20/h2-13,16,26H,14-15,17H2,1H3,(H,29,34)(H,30,33)
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100n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218613
PNG
(CHEMBL24816)
Show SMILES CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C31H28N4O3/c1-21(36)33-30-31(38)35(27-17-8-7-16-26(27)29(34-30)24-11-3-2-4-12-24)20-28(37)32-19-18-23-14-9-13-22-10-5-6-15-25(22)23/h2-17,30H,18-20H2,1H3,(H,32,37)(H,33,36)
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100n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218606
PNG
(CHEMBL24605)
Show SMILES CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc(Cl)c(Cl)c2)C1=O
Show InChI InChI=1S/C27H24Cl2N4O3/c1-17(34)31-26-27(36)33(16-24(35)30-14-13-18-11-12-21(28)22(29)15-18)23-10-6-5-9-20(23)25(32-26)19-7-3-2-4-8-19/h2-12,15,26H,13-14,16H2,1H3,(H,30,35)(H,31,34)
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100n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218609
PNG
(CHEMBL24353)
Show SMILES CC(=O)CCCC(=O)NC1N=C(C)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O
Show InChI InChI=1S/C27H29Cl2N5O5/c1-15(35)6-5-9-23(36)33-26-27(39)34(22-8-4-3-7-18(22)16(2)31-26)14-24(37)32-21(25(30)38)13-17-10-11-19(28)20(29)12-17/h3-4,7-8,10-12,21,26H,5-6,9,13-14H2,1-2H3,(H2,30,38)(H,32,37)(H,33,36)/t21-,26?/m0/s1
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200n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218625
PNG
(CHEMBL25067)
Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccccc2Cl)C1=O
Show InChI InChI=1S/C31H31ClN4O4/c1-21(37)10-9-17-27(38)34-30-31(40)36(20-28(39)33-19-18-22-11-5-7-15-25(22)32)26-16-8-6-14-24(26)29(35-30)23-12-3-2-4-13-23/h2-8,11-16,30H,9-10,17-20H2,1H3,(H,33,39)(H,34,38)
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200n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218620
PNG
(CHEMBL25310)
Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccccc2)C1=O
Show InChI InChI=1S/C31H32N4O4/c1-22(36)11-10-18-27(37)33-30-31(39)35(21-28(38)32-20-19-23-12-4-2-5-13-23)26-17-9-8-16-25(26)29(34-30)24-14-6-3-7-15-24/h2-9,12-17,30H,10-11,18-21H2,1H3,(H,32,38)(H,33,37)
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316n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218611
PNG
(CHEMBL26398)
Show SMILES CS(=O)(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O
Show InChI InChI=1S/C27H25Cl2N5O5S/c1-40(38,39)33-26-27(37)34(22-10-6-5-9-18(22)24(32-26)17-7-3-2-4-8-17)15-23(35)31-21(25(30)36)14-16-11-12-19(28)20(29)13-16/h2-13,21,26,33H,14-15H2,1H3,(H2,30,36)(H,31,35)/t21-,26?/m0/s1
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501n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218616
PNG
(CHEMBL278093)
Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1=O
Show InChI InChI=1S/C32H39N5O5/c1-21(38)11-10-18-27(39)35-31-32(42)37(20-28(40)34-25(30(33)41)19-22-12-4-2-5-13-22)26-17-9-8-16-24(26)29(36-31)23-14-6-3-7-15-23/h3,6-9,14-17,22,25,31H,2,4-5,10-13,18-20H2,1H3,(H2,33,41)(H,34,40)(H,35,39)/t25-,31?/m0/s1
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794n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218628
PNG
(CHEMBL278988)
Show SMILES CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCc2nc(no2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H24N6O4/c1-18(35)30-27-28(37)34(22-15-9-8-14-21(22)25(32-27)19-10-4-2-5-11-19)17-23(36)29-16-24-31-26(33-38-24)20-12-6-3-7-13-20/h2-15,27H,16-17H2,1H3,(H,29,36)(H,30,35)
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794n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218610
PNG
(CHEMBL278619)
Show SMILES CC(=O)CCCC(=O)NC1N=C(Cn2ccnc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O
Show InChI InChI=1S/C30H31Cl2N7O5/c1-18(40)5-4-8-26(41)37-29-30(44)39(25-7-3-2-6-20(25)24(36-29)15-38-12-11-34-17-38)16-27(42)35-23(28(33)43)14-19-9-10-21(31)22(32)13-19/h2-3,6-7,9-13,17,23,29H,4-5,8,14-16H2,1H3,(H2,33,43)(H,35,42)(H,37,41)/t23-,29?/m0/s1
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794n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218619
PNG
(CHEMBL422044)
Show SMILES CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O
Show InChI InChI=1S/C28H25Cl2N5O4/c1-16(36)32-27-28(39)35(23-10-6-5-9-19(23)25(34-27)18-7-3-2-4-8-18)15-24(37)33-22(26(31)38)14-17-11-12-20(29)21(30)13-17/h2-13,22,27H,14-15H2,1H3,(H2,31,38)(H,32,36)(H,33,37)/t22-,27?/m1/s1
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794n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218615
PNG
(CHEMBL428694)
Show SMILES CN(CCc1cccc(Cl)c1)C(=O)CN1c2ccccc2C(=NC(NC(C)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C28H27ClN4O3/c1-19(34)30-27-28(36)33(18-25(35)32(2)16-15-20-9-8-12-22(29)17-20)24-14-7-6-13-23(24)26(31-27)21-10-4-3-5-11-21/h3-14,17,27H,15-16,18H2,1-2H3,(H,30,34)
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PubMed
1.59E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218627
PNG
(CHEMBL287487)
Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC2=NOC(C2)c2ccccc2)C1=O
Show InChI InChI=1S/C32H31N5O5/c1-21(38)11-10-18-28(39)34-31-32(41)37(20-29(40)33-27-19-26(42-36-27)22-12-4-2-5-13-22)25-17-9-8-16-24(25)30(35-31)23-14-6-3-7-15-23/h2-9,12-17,26,31H,10-11,18-20H2,1H3,(H,34,39)(H,33,36,40)
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>3.16E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218614
PNG
(CHEMBL286026)
Show SMILES CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCc2nc(cs2)-c2ccc(Cl)c(Cl)c2)C1=O
Show InChI InChI=1S/C29H23Cl2N5O3S/c1-17(37)33-28-29(39)36(24-10-6-5-9-20(24)27(35-28)18-7-3-2-4-8-18)15-25(38)32-14-26-34-23(16-40-26)19-11-12-21(30)22(31)13-19/h2-13,16,28H,14-15H2,1H3,(H,32,38)(H,33,37)
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>5.01E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50218608
PNG
(CHEMBL24624)
Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC2CCc3ccccc3C2)C1=O
Show InChI InChI=1S/C33H34N4O4/c1-22(38)10-9-17-29(39)35-32-33(41)37(21-30(40)34-26-19-18-23-11-5-6-14-25(23)20-26)28-16-8-7-15-27(28)31(36-32)24-12-3-2-4-13-24/h2-8,11-16,26,32H,9-10,17-21H2,1H3,(H,34,40)(H,35,39)
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>5.01E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, GlaxoSmithKline, Medicines Research Centre, Stevenage, Herts, UK. pw29967@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair