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Compile Data Set for Download or QSAR

Found 616 hits with Last Name = 'wyatt' and Initial = 'pg'   
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


(HEK293)
BDBM50219760
PNG
(CHEMBL286895)
Show SMILES O=C(Cn1ccc(nc1=O)N1CCOCC1)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C33H34N6O7/c40-30(20-38-12-9-29(35-32(38)42)36-13-15-44-16-14-36)34-19-26-18-24-17-22(5-6-28(24)46-26)31(41)37-10-7-25(8-11-37)39-27-4-2-1-3-23(27)21-45-33(39)43/h1-6,9,12,17-18,25H,7-8,10-11,13-16,19-21H2,(H,34,40)
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219779
PNG
(CHEMBL30510)
Show SMILES O=C(Cn1ccc(nc1=O)-c1ccccc1)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C35H31N5O6/c41-32(21-39-17-14-29(37-34(39)43)23-6-2-1-3-7-23)36-20-28-19-26-18-24(10-11-31(26)46-28)33(42)38-15-12-27(13-16-38)40-30-9-5-4-8-25(30)22-45-35(40)44/h1-11,14,17-19,27H,12-13,15-16,20-22H2,(H,36,41)
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219786
PNG
(CHEMBL285820)
Show SMILES Cn1ncc2c1ncn(CC(=O)NCc1cc3cc(ccc3o1)C(=O)N1CCC(CC1)N1C(=O)OCc3ccccc13)c2=O
Show InChI InChI=1S/C31H29N7O6/c1-35-28-24(15-34-35)30(41)37(18-33-28)16-27(39)32-14-23-13-21-12-19(6-7-26(21)44-23)29(40)36-10-8-22(9-11-36)38-25-5-3-2-4-20(25)17-43-31(38)42/h2-7,12-13,15,18,22H,8-11,14,16-17H2,1H3,(H,32,39)
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002428
PNG
(CHEMBL371008)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(NC(C)=O)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H38N4O4/c1-17(2)14-25-28(36)33-26(23-15-21-8-6-7-9-22(21)16-23)30(38)34(25)27(29(37)31-18(3)4)20-10-12-24(13-11-20)32-19(5)35/h6-13,17-18,23,25-27H,14-16H2,1-5H3,(H,31,37)(H,32,35)(H,33,36)/t25-,26-,27-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002408
PNG
(CHEMBL372615)
Show SMILES C1NCc2ccccc2O1
Show InChI InChI=1S/C8H9NO/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4,9H,5-6H2
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219762
PNG
(CHEMBL283894)
Show SMILES CCOc1ccn(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(=O)n1
Show InChI InChI=1S/C31H31N5O7/c1-2-41-28-11-14-35(30(39)33-28)18-27(37)32-17-24-16-22-15-20(7-8-26(22)43-24)29(38)34-12-9-23(10-13-34)36-25-6-4-3-5-21(25)19-42-31(36)40/h3-8,11,14-16,23H,2,9-10,12-13,17-19H2,1H3,(H,32,37)
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002413
PNG
(CHEMBL372554)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)(C)C)c2ccc(NC(C)=O)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C31H40N4O4/c1-18(2)15-25-28(37)33-26(23-16-21-9-7-8-10-22(21)17-23)30(39)35(25)27(29(38)34-31(4,5)6)20-11-13-24(14-12-20)32-19(3)36/h7-14,18,23,25-27H,15-17H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/t25-,26-,27-/m1/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50113050
PNG
(CHEMBL31065 | N-{5-[4-(2-Oxo-4H-benzo[d][1,3]oxazi...)
Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1
Show InChI InChI=1S/C31H27F3N4O6/c32-31(33,34)22-6-8-28(40)37(16-22)17-27(39)35-15-24-14-21-13-19(5-7-26(21)44-24)29(41)36-11-9-23(10-12-36)38-25-4-2-1-3-20(25)18-43-30(38)42/h1-8,13-14,16,23H,9-12,15,17-18H2,(H,35,39)
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002432
PNG
(CHEMBL372128)
Show SMILES COc1ccc(cc1)[C@@H](N1[C@H](CC(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C30H39N3O4/c1-18(2)15-24-27(34)31-25(22-16-20-9-7-8-10-21(20)17-22)29(36)33(24)26(28(35)32-30(3,4)5)19-11-13-23(37-6)14-12-19/h7-14,18,22,24-26H,15-17H2,1-6H3,(H,31,34)(H,32,35)/t24-,25-,26-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002436
PNG
(CHEMBL381024)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)(C)C)c2ccc(Cl)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H36ClN3O3/c1-17(2)14-23-26(34)31-24(21-15-19-8-6-7-9-20(19)16-21)28(36)33(23)25(27(35)32-29(3,4)5)18-10-12-22(30)13-11-18/h6-13,17,21,23-25H,14-16H2,1-5H3,(H,31,34)(H,32,35)/t23-,24-,25-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219774
PNG
(CHEMBL281243)
Show SMILES COc1cccn(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1=O
Show InChI InChI=1S/C31H30N4O7/c1-40-27-7-4-12-34(30(27)38)18-28(36)32-17-24-16-22-15-20(8-9-26(22)42-24)29(37)33-13-10-23(11-14-33)35-25-6-3-2-5-21(25)19-41-31(35)39/h2-9,12,15-16,23H,10-11,13-14,17-19H2,1H3,(H,32,36)
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219775
PNG
(CHEMBL31651)
Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccc(Cl)cc23)c1
Show InChI InChI=1S/C31H26ClF3N4O6/c32-22-4-1-19-17-44-30(43)39(25(19)13-22)23-7-9-37(10-8-23)29(42)18-2-5-26-20(11-18)12-24(45-26)14-36-27(40)16-38-15-21(31(33,34)35)3-6-28(38)41/h1-6,11-13,15,23H,7-10,14,16-17H2,(H,36,40)
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50113051
PNG
(CHEMBL284442 | N-{5-[4-(2-Oxo-4H-benzo[d][1,3]oxaz...)
Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2cc3cc(cnc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1
Show InChI InChI=1S/C30H26F3N5O6/c31-30(32,33)21-5-6-26(40)37(15-21)16-25(39)34-14-23-12-19-11-20(13-35-27(19)44-23)28(41)36-9-7-22(8-10-36)38-24-4-2-1-3-18(24)17-43-29(38)42/h1-6,11-13,15,22H,7-10,14,16-17H2,(H,34,39)
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219727
PNG
(CHEMBL262384)
Show SMILES CN1CC(=O)N(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1=O
Show InChI InChI=1S/C29H29N5O7/c1-31-16-26(36)33(28(31)38)15-25(35)30-14-22-13-20-12-18(6-7-24(20)41-22)27(37)32-10-8-21(9-11-32)34-23-5-3-2-4-19(23)17-40-29(34)39/h2-7,12-13,21H,8-11,14-17H2,1H3,(H,30,35)
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)


Bioorg Med Chem Lett 12: 1399-404 (2002)


Article DOI: 10.1016/s0960-894x(02)00159-2
BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50416840
PNG
(CHEMBL196603)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(cc2)N(C)C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H40N4O3/c1-18(2)15-25-28(35)32-26(23-16-21-9-7-8-10-22(21)17-23)30(37)34(25)27(29(36)31-19(3)4)20-11-13-24(14-12-20)33(5)6/h7-14,18-19,23,25-27H,15-17H2,1-6H3,(H,31,36)(H,32,35)/t25-,26-,27-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002438
PNG
(CHEMBL382518)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C28H35N3O3/c1-17(2)14-23-26(32)30-24(22-15-20-12-8-9-13-21(20)16-22)28(34)31(23)25(27(33)29-18(3)4)19-10-6-5-7-11-19/h5-13,17-18,22-25H,14-16H2,1-4H3,(H,29,33)(H,30,32)/t23-,24-,25-/m1/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50416839
PNG
(CHEMBL197793)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(F)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C28H34FN3O3/c1-16(2)13-23-26(33)31-24(21-14-19-7-5-6-8-20(19)15-21)28(35)32(23)25(27(34)30-17(3)4)18-9-11-22(29)12-10-18/h5-12,16-17,21,23-25H,13-15H2,1-4H3,(H,30,34)(H,31,33)/t23-,24-,25-/m1/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002430
PNG
(CHEMBL372978)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N(C)C(C)C)c2ccccc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H37N3O3/c1-18(2)15-24-27(33)30-25(23-16-21-13-9-10-14-22(21)17-23)28(34)32(24)26(20-11-7-6-8-12-20)29(35)31(5)19(3)4/h6-14,18-19,23-26H,15-17H2,1-5H3,(H,30,33)/t24-,25-,26-/m1/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002421
PNG
(CHEMBL555148)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(C)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H37N3O3/c1-17(2)14-24-27(33)31-25(23-15-21-8-6-7-9-22(21)16-23)29(35)32(24)26(28(34)30-18(3)4)20-12-10-19(5)11-13-20/h6-13,17-18,23-26H,14-16H2,1-5H3,(H,30,34)(H,31,33)/t24-,25-,26-/m1/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219526
PNG
(CHEMBL279782)
Show SMILES CN1CCC(=O)N(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1=O
Show InChI InChI=1S/C30H31N5O7/c1-32-11-10-27(37)34(29(32)39)17-26(36)31-16-23-15-21-14-19(6-7-25(21)42-23)28(38)33-12-8-22(9-13-33)35-24-5-3-2-4-20(24)18-41-30(35)40/h2-7,14-15,22H,8-13,16-18H2,1H3,(H,31,36)
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)


Bioorg Med Chem Lett 12: 1399-404 (2002)


Article DOI: 10.1016/s0960-894x(02)00159-2
BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219776
PNG
(CHEMBL32404)
Show SMILES FC(F)(F)c1cc(=O)n(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)cn1
Show InChI InChI=1S/C30H26F3N5O6/c31-30(32,33)25-13-27(40)37(17-35-25)15-26(39)34-14-22-12-20-11-18(5-6-24(20)44-22)28(41)36-9-7-21(8-10-36)38-23-4-2-1-3-19(23)16-43-29(38)42/h1-6,11-13,17,21H,7-10,14-16H2,(H,34,39)
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002416
PNG
(CHEMBL194374)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)(C)C)c2ccccc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H37N3O3/c1-18(2)15-23-26(33)30-24(22-16-20-13-9-10-14-21(20)17-22)28(35)32(23)25(19-11-7-6-8-12-19)27(34)31-29(3,4)5/h6-14,18,22-25H,15-17H2,1-5H3,(H,30,33)(H,31,34)/t23-,24-,25-/m1/s1
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002412
PNG
(CHEMBL198329)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(cc2)C(F)(F)F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H34F3N3O3/c1-16(2)13-23-26(36)34-24(21-14-19-7-5-6-8-20(19)15-21)28(38)35(23)25(27(37)33-17(3)4)18-9-11-22(12-10-18)29(30,31)32/h5-12,16-17,21,23-25H,13-15H2,1-4H3,(H,33,37)(H,34,36)/t23-,24-,25-/m1/s1
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002418
PNG
(CHEMBL196780)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)(C)C)c2ccc(OC(F)(F)F)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H36F3N3O4/c1-17(2)14-23-26(37)34-24(21-15-19-8-6-7-9-20(19)16-21)28(39)36(23)25(27(38)35-29(3,4)5)18-10-12-22(13-11-18)40-30(31,32)33/h6-13,17,21,23-25H,14-16H2,1-5H3,(H,34,37)(H,35,38)/t23-,24-,25-/m1/s1
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219507
PNG
(CHEMBL31476)
Show SMILES O=C(CN1C(=O)CNC1=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H27N5O7/c34-24(15-32-25(35)14-30-27(32)37)29-13-21-12-19-11-17(5-6-23(19)40-21)26(36)31-9-7-20(8-10-31)33-22-4-2-1-3-18(22)16-39-28(33)38/h1-6,11-12,20H,7-10,13-16H2,(H,29,34)(H,30,37)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)


Bioorg Med Chem Lett 12: 1399-404 (2002)


Article DOI: 10.1016/s0960-894x(02)00159-2
BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219509
PNG
(CHEMBL287325)
Show SMILES O=C(Cn1ccccc1=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C30H28N4O6/c35-27(18-33-12-4-3-7-28(33)36)31-17-24-16-22-15-20(8-9-26(22)40-24)29(37)32-13-10-23(11-14-32)34-25-6-2-1-5-21(25)19-39-30(34)38/h1-9,12,15-16,23H,10-11,13-14,17-19H2,(H,31,35)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)


Bioorg Med Chem Lett 12: 1399-404 (2002)


Article DOI: 10.1016/s0960-894x(02)00159-2
BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219509
PNG
(CHEMBL287325)
Show SMILES O=C(Cn1ccccc1=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C30H28N4O6/c35-27(18-33-12-4-3-7-28(33)36)31-17-24-16-22-15-20(8-9-26(22)40-24)29(37)32-13-10-23(11-14-32)34-25-6-2-1-5-21(25)19-39-30(34)38/h1-9,12,15-16,23H,10-11,13-14,17-19H2,(H,31,35)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219764
PNG
(CHEMBL281044)
Show SMILES O=C(Cn1ccc2ccccc2c1=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C34H30N4O6/c39-31(20-37-14-11-22-5-1-3-7-28(22)33(37)41)35-19-27-18-25-17-23(9-10-30(25)44-27)32(40)36-15-12-26(13-16-36)38-29-8-4-2-6-24(29)21-43-34(38)42/h1-11,14,17-18,26H,12-13,15-16,19-21H2,(H,35,39)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50029649
PNG
(1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzo...)
Show SMILES COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219783
PNG
(CHEMBL282494)
Show SMILES Fc1ccc2COC(=O)N(C3CCN(CC3)C(=O)c3ccc4oc(CNC(=O)Cn5cc(ccc5=O)C(F)(F)F)cc4c3)c2c1
Show InChI InChI=1S/C31H26F4N4O6/c32-22-4-1-19-17-44-30(43)39(25(19)13-22)23-7-9-37(10-8-23)29(42)18-2-5-26-20(11-18)12-24(45-26)14-36-27(40)16-38-15-21(31(33,34)35)3-6-28(38)41/h1-6,11-13,15,23H,7-10,14,16-17H2,(H,36,40)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219785
PNG
(CHEMBL283039)
Show SMILES Fc1ccc2N(C3CCN(CC3)C(=O)c3ccc4oc(CNC(=O)Cn5cc(ccc5=O)C(F)(F)F)cc4c3)C(=O)OCc2c1
Show InChI InChI=1S/C31H26F4N4O6/c32-22-3-4-25-20(12-22)17-44-30(43)39(25)23-7-9-37(10-8-23)29(42)18-1-5-26-19(11-18)13-24(45-26)14-36-27(40)16-38-15-21(31(33,34)35)2-6-28(38)41/h1-6,11-13,15,23H,7-10,14,16-17H2,(H,36,40)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002425
PNG
(CHEMBL193773)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)(C)C)c2cccc(NC(C)=O)c2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C31H40N4O4/c1-18(2)14-25-28(37)33-26(23-15-20-10-7-8-11-21(20)16-23)30(39)35(25)27(29(38)34-31(4,5)6)22-12-9-13-24(17-22)32-19(3)36/h7-13,17-18,23,25-27H,14-16H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/t25-,26-,27-/m1/s1
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31801
PNG
(2-aminobenzimidazole deriv., 12)
Show SMILES Nc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24)
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7 -46.2n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxytocin receptor


(HEK293)
BDBM50219781
PNG
(CHEMBL30910)
Show SMILES Fc1cccc2COC(=O)N(C3CCN(CC3)C(=O)c3ccc4oc(CNC(=O)Cn5cc(ccc5=O)C(F)(F)F)cc4c3)c12
Show InChI InChI=1S/C31H26F4N4O6/c32-24-3-1-2-19-17-44-30(43)39(28(19)24)22-8-10-37(11-9-22)29(42)18-4-6-25-20(12-18)13-23(45-25)14-36-26(40)16-38-15-21(31(33,34)35)5-7-27(38)41/h1-7,12-13,15,22H,8-11,14,16-17H2,(H,36,40)
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219761
PNG
(CHEMBL287101)
Show SMILES Fc1cc2oc(CNC(=O)Cn3cc(ccc3=O)C(F)(F)F)cc2cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C31H26F4N4O6/c32-24-13-26-19(11-22(45-26)14-36-27(40)16-38-15-20(31(33,34)35)5-6-28(38)41)12-23(24)29(42)37-9-7-21(8-10-37)39-25-4-2-1-3-18(25)17-44-30(39)43/h1-6,11-13,15,21H,7-10,14,16-17H2,(H,36,40)
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
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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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

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
BindingDB Entry DOI: 10.7270/Q27H1MS3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219782
PNG
(CHEMBL281081)
Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2nc3ccc(cc3s2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1
Show InChI InChI=1S/C30H26F3N5O5S/c31-30(32,33)20-6-8-27(40)37(15-20)16-25(39)34-14-26-35-22-7-5-18(13-24(22)44-26)28(41)36-11-9-21(10-12-36)38-23-4-2-1-3-19(23)17-43-29(38)42/h1-8,13,15,21H,9-12,14,16-17H2,(H,34,39)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219770
PNG
(CHEMBL283676)
Show SMILES FC(F)(F)c1ccc(=O)n(C[C@@H]2CCCCN2Cc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1
Show InChI InChI=1S/C35H35F3N4O5/c36-35(37,38)26-9-11-32(43)41(19-26)20-28-6-3-4-14-40(28)21-29-18-25-17-23(8-10-31(25)47-29)33(44)39-15-12-27(13-16-39)42-30-7-2-1-5-24(30)22-46-34(42)45/h1-2,5,7-11,17-19,27-28H,3-4,6,12-16,20-22H2/t28-/m0/s1
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50029649
PNG
(1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzo...)
Show SMILES COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)


Bioorg Med Chem Lett 12: 1399-404 (2002)


Article DOI: 10.1016/s0960-894x(02)00159-2
BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219720
PNG
(CHEMBL32745)
Show SMILES Cc1cc(cc2ccn(C[C@H]3CCCN3S(C)(=O)=O)c12)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C29H34N4O5S/c1-20-16-23(17-21-9-13-31(27(20)21)18-25-7-5-12-32(25)39(2,36)37)28(34)30-14-10-24(11-15-30)33-26-8-4-3-6-22(26)19-38-29(33)35/h3-4,6,8-9,13,16-17,24-25H,5,7,10-12,14-15,18-19H2,1-2H3/t25-/m1/s1
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)


Bioorg Med Chem Lett 12: 1399-404 (2002)


Article DOI: 10.1016/s0960-894x(02)00159-2
BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219773
PNG
(CHEMBL445875)
Show SMILES FC(F)(F)c1ccc(=O)n(Cc2cccc(n2)-c2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1
Show InChI InChI=1S/C34H27F3N4O5/c35-34(36,37)24-9-11-31(42)40(18-24)19-25-5-3-6-27(38-25)30-17-23-16-21(8-10-29(23)46-30)32(43)39-14-12-26(13-15-39)41-28-7-2-1-4-22(28)20-45-33(41)44/h1-11,16-18,26H,12-15,19-20H2
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002417
PNG
(CHEMBL194584)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(cc2)S(C)(=O)=O)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H37N3O5S/c1-17(2)14-24-27(33)31-25(22-15-20-8-6-7-9-21(20)16-22)29(35)32(24)26(28(34)30-18(3)4)19-10-12-23(13-11-19)38(5,36)37/h6-13,17-18,22,24-26H,14-16H2,1-5H3,(H,30,34)(H,31,33)/t24-,25-,26-/m1/s1
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
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



GlaxoSmithKline

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
BindingDB Entry DOI: 10.7270/Q27H1MS3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219523
PNG
(CHEMBL284688)
Show SMILES CC1(C)NC(=O)N(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1=O
Show InChI InChI=1S/C30H31N5O7/c1-30(2)27(38)34(28(39)32-30)16-25(36)31-15-22-14-20-13-18(7-8-24(20)42-22)26(37)33-11-9-21(10-12-33)35-23-6-4-3-5-19(23)17-41-29(35)40/h3-8,13-14,21H,9-12,15-17H2,1-2H3,(H,31,36)(H,32,39)
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)


Bioorg Med Chem Lett 12: 1399-404 (2002)


Article DOI: 10.1016/s0960-894x(02)00159-2
BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219442
PNG
(CHEMBL284419)
Show SMILES CC(=O)NCC(=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C27H28N4O6/c1-17(32)28-15-25(33)29-14-22-13-20-12-18(6-7-24(20)37-22)26(34)30-10-8-21(9-11-30)31-23-5-3-2-4-19(23)16-36-27(31)35/h2-7,12-13,21H,8-11,14-16H2,1H3,(H,28,32)(H,29,33)
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)


Bioorg Med Chem Lett 12: 1399-404 (2002)


Article DOI: 10.1016/s0960-894x(02)00159-2
BindingDB Entry DOI: 10.7270/Q2HT2RH4
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



GlaxoSmithKline

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
BindingDB Entry DOI: 10.7270/Q27H1MS3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219723
PNG
(CHEMBL284410)
Show SMILES CS(=O)(=O)N1CCC[C@@H]1Cn1ccc2cc(ccc12)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H32N4O5S/c1-38(35,36)31-13-4-6-24(31)18-30-14-10-20-17-21(8-9-25(20)30)27(33)29-15-11-23(12-16-29)32-26-7-3-2-5-22(26)19-37-28(32)34/h2-3,5,7-10,14,17,23-24H,4,6,11-13,15-16,18-19H2,1H3/t24-/m1/s1
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)


Bioorg Med Chem Lett 12: 1399-404 (2002)


Article DOI: 10.1016/s0960-894x(02)00159-2
BindingDB Entry DOI: 10.7270/Q2HT2RH4
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



GlaxoSmithKline

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
BindingDB Entry DOI: 10.7270/Q27H1MS3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219777
PNG
(CHEMBL281988)
Show SMILES FC(F)(F)c1ccc(=O)n(c1)[C@@H]1CCCN(Cc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1
Show InChI InChI=1S/C34H33F3N4O5/c35-34(36,37)25-8-10-31(42)40(18-25)27-5-3-13-38(19-27)20-28-17-24-16-22(7-9-30(24)46-28)32(43)39-14-11-26(12-15-39)41-29-6-2-1-4-23(29)21-45-33(41)44/h1-2,4,6-10,16-18,26-27H,3,5,11-15,19-21H2/t27-/m1/s1
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219780
PNG
(CHEMBL287629)
Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c1
Show InChI InChI=1S/C32H29F3N4O5/c33-32(34,35)23-7-10-29(41)38(18-23)19-28(40)36-17-25-16-22-15-21(5-8-27(22)44-25)31(43)37-13-11-24(12-14-37)39-26-4-2-1-3-20(26)6-9-30(39)42/h1-5,7-8,10,15-16,18,24H,6,9,11-14,17,19H2,(H,36,40)
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
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