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Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'chilcott' and Initial = 'j'   
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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



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)
BDBM50219530
PNG
(CHEMBL31213)
Show SMILES CN(Cc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12)C(=O)CN1C(=O)CNC1=O
Show InChI InChI=1S/C29H29N5O7/c1-31(26(36)16-33-25(35)14-30-28(33)38)15-22-13-20-12-18(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,30,38)
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25n/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)
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
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)
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



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)
BDBM50219515
PNG
(CHEMBL31802)
Show SMILES CC1OC(=O)N(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1=O
Show InChI InChI=1S/C29H28N4O8/c1-17-26(35)32(28(37)40-17)15-25(34)30-14-22-13-20-12-18(6-7-24(20)41-22)27(36)31-10-8-21(9-11-31)33-23-5-3-2-4-19(23)16-39-29(33)38/h2-7,12-13,17,21H,8-11,14-16H2,1H3,(H,30,34)
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25n/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)
BDBM50219758
PNG
(CHEMBL32187)
Show SMILES CC(=O)N1CCC[C@@H]1c1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H29N3O5/c1-18(32)30-12-4-7-24(30)26-16-21-15-19(8-9-25(21)36-26)27(33)29-13-10-22(11-14-29)31-23-6-3-2-5-20(23)17-35-28(31)34/h2-3,5-6,8-9,15-16,22,24H,4,7,10-14,17H2,1H3/t24-/m1/s1
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25n/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)
BDBM50219520
PNG
(CHEMBL417133)
Show SMILES O=C(CN1CCCC1=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C29H30N4O6/c34-26(17-32-11-3-6-27(32)35)30-16-23-15-21-14-19(7-8-25(21)39-23)28(36)31-12-9-22(10-13-31)33-24-5-2-1-4-20(24)18-38-29(33)37/h1-2,4-5,7-8,14-15,22H,3,6,9-13,16-18H2,(H,30,34)
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25n/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)
BDBM50219524
PNG
(CHEMBL31163)
Show SMILES O=C(Cc1cccnc1)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C30H28N4O5/c35-28(14-20-4-3-11-31-17-20)32-18-25-16-23-15-21(7-8-27(23)39-25)29(36)33-12-9-24(10-13-33)34-26-6-2-1-5-22(26)19-38-30(34)37/h1-8,11,15-17,24H,9-10,12-14,18-19H2,(H,32,35)
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25n/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)
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



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)
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



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)
BDBM50219725
PNG
(CHEMBL30667)
Show SMILES CC(=O)NCCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C26H27N3O5/c1-17(30)27-11-8-22-15-20-14-18(6-7-24(20)34-22)25(31)28-12-9-21(10-13-28)29-23-5-3-2-4-19(23)16-33-26(29)32/h2-7,14-15,21H,8-13,16H2,1H3,(H,27,30)
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40n/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)
BDBM50219606
PNG
(CHEMBL30315)
Show SMILES CN(CCn1ccc2cc(ccc12)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C26H30N4O5S/c1-27(36(2,33)34)15-16-28-12-9-19-17-20(7-8-23(19)28)25(31)29-13-10-22(11-14-29)30-24-6-4-3-5-21(24)18-35-26(30)32/h3-9,12,17,22H,10-11,13-16,18H2,1-2H3
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40n/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)
BDBM50219771
PNG
(CHEMBL281106)
Show SMILES Cn1c(CNC(=O)Cn2cc(ccc2=O)C(F)(F)F)cc2ccc(cc12)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C32H30F3N5O5/c1-37-25(16-36-28(41)18-39-17-23(32(33,34)35)8-9-29(39)42)14-20-6-7-21(15-27(20)37)30(43)38-12-10-24(11-13-38)40-26-5-3-2-4-22(26)19-45-31(40)44/h2-9,14-15,17,24H,10-13,16,18-19H2,1H3,(H,36,41)
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50n/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)
BDBM50219518
PNG
(CHEMBL31606)
Show SMILES CC(=O)N1CCC(CC1)c1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C29H31N3O5/c1-19(33)30-12-8-20(9-13-30)27-17-23-16-21(6-7-26(23)37-27)28(34)31-14-10-24(11-15-31)32-25-5-3-2-4-22(25)18-36-29(32)35/h2-7,16-17,20,24H,8-15,18H2,1H3
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63n/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)
BDBM50219514
PNG
(CHEMBL31350)
Show SMILES CC(=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C25H25N3O5/c1-16(29)26-14-21-13-19-12-17(6-7-23(19)33-21)24(30)27-10-8-20(9-11-27)28-22-5-3-2-4-18(22)15-32-25(28)31/h2-7,12-13,20H,8-11,14-15H2,1H3,(H,26,29)
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63n/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)
BDBM50219528
PNG
(CHEMBL286979)
Show SMILES CN(CCn1ccc2cc(ccc12)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12)C(C)=O
Show InChI InChI=1S/C27H30N4O4/c1-19(32)28(2)15-16-29-12-9-20-17-21(7-8-24(20)29)26(33)30-13-10-23(11-14-30)31-25-6-4-3-5-22(25)18-35-27(31)34/h3-9,12,17,23H,10-11,13-16,18H2,1-2H3
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63n/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)
BDBM50219769
PNG
(CHEMBL286771)
Show SMILES FC(F)(F)c1ccc(=O)n(Cc2cncc(c2)-c2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1
Show InChI InChI=1S/C34H27F3N4O5/c35-34(36,37)26-6-8-31(42)40(19-26)18-21-13-25(17-38-16-21)30-15-24-14-22(5-7-29(24)46-30)32(43)39-11-9-27(10-12-39)41-28-4-2-1-3-23(28)20-45-33(41)44/h1-8,13-17,19,27H,9-12,18,20H2
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63n/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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