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Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'perren' and Initial = 'mj'   
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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
Oxytocin receptor


(HEK293)
BDBM50219784
PNG
(CHEMBL282767)
Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2nc3cc(ccc3s2)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)34-14-26-35-22-13-18(5-7-24(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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79n/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)
BDBM50219778
PNG
(CHEMBL287628)
Show SMILES Fc1cccc2N(C3CCN(CC3)C(=O)c3ccc4oc(CNC(=O)Cn5cc(ccc5=O)C(F)(F)F)cc4c3)C(=O)OCc12
Show InChI InChI=1S/C31H26F4N4O6/c32-24-2-1-3-25-23(24)17-44-30(43)39(25)21-8-10-37(11-9-21)29(42)18-4-6-26-19(12-18)13-22(45-26)14-36-27(40)16-38-15-20(31(33,34)35)5-7-28(38)41/h1-7,12-13,15,21H,8-11,14,16-17H2,(H,36,40)
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100n/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)
BDBM50219765
PNG
(CHEMBL30550)
Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2cc3ccc(cc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1
Show InChI InChI=1S/C31H27F3N4O6/c32-31(33,34)22-7-8-28(40)37(16-22)17-27(39)35-15-24-13-19-5-6-20(14-26(19)44-24)29(41)36-11-9-23(10-12-36)38-25-4-2-1-3-21(25)18-43-30(38)42/h1-8,13-14,16,23H,9-12,15,17-18H2,(H,35,39)
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100n/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)
BDBM50219768
PNG
(CHEMBL31556)
Show SMILES FC(F)(F)c1ccc(=O)n(Cc2cccc(c2)-c2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1
Show InChI InChI=1S/C35H28F3N3O5/c36-35(37,38)27-9-11-32(42)40(20-27)19-22-4-3-6-23(16-22)31-18-26-17-24(8-10-30(26)46-31)33(43)39-14-12-28(13-15-39)41-29-7-2-1-5-25(29)21-45-34(41)44/h1-11,16-18,20,28H,12-15,19,21H2
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794n/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)
BDBM50219787
PNG
(CHEMBL30587)
Show SMILES FC(F)(F)c1ccc(=O)n(c1)C1CCN(Cc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)CC1
Show InChI InChI=1S/C34H33F3N4O5/c35-34(36,37)25-6-8-31(42)40(19-25)26-9-13-38(14-10-26)20-28-18-24-17-22(5-7-30(24)46-28)32(43)39-15-11-27(12-16-39)41-29-4-2-1-3-23(29)21-45-33(41)44/h1-8,17-19,26-27H,9-16,20-21H2
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794n/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
Vasopressin V1a receptor


(Homo sapiens (Human))
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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1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace vasopressin from human Vasopressin V1a 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
Vasopressin V1a receptor


(Homo sapiens (Human))
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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1.59E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace vasopressin from human Vasopressin V1a 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
Vasopressin V1a receptor


(Homo sapiens (Human))
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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1.59E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace vasopressin from human Vasopressin V1a 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
Vasopressin V1a receptor


(Homo sapiens (Human))
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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<2.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace vasopressin from human Vasopressin V1a 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)
BDBM50219772
PNG
(CHEMBL29368)
Show SMILES FC(F)(F)c1ccc(=O)n(Cc2ccnc(c2)-c2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1
Show InChI InChI=1S/C34H27F3N4O5/c35-34(36,37)25-6-8-31(42)40(19-25)18-21-9-12-38-27(15-21)30-17-24-16-22(5-7-29(24)46-30)32(43)39-13-10-26(11-14-39)41-28-4-2-1-3-23(28)20-45-33(41)44/h1-9,12,15-17,19,26H,10-11,13-14,18,20H2
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<3.16E+3n/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
Vasopressin V1a receptor


(Homo sapiens (Human))
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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3.98E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace vasopressin from human Vasopressin V1a 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


(RAT)
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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n/an/a 640n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for displacement of 3[H] oxytocin from rat OT receptor (in vitro)


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


(RAT)
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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PubMed
n/an/a 744n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for displacement of 3[H] oxytocin from rat OT receptor (in vitro)


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


(RAT)
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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UniProtKB/SwissProt

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PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.04E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for displacement of 3[H] oxytocin from rat OT receptor (in vitro)


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