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PubMed code 11992786

Compile data set for download or QSAR
Found 42 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin 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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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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219726
PNG
(CHEMBL282781)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)CC1
Show InChI InChI=1S/C28H32N4O6S/c1-39(35,36)31-14-12-29(13-15-31)18-24-17-22-16-20(6-7-26(22)38-24)27(33)30-10-8-23(9-11-30)32-25-5-3-2-4-21(25)19-37-28(32)34/h2-7,16-17,23H,8-15,18-19H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219511
PNG
(CHEMBL31978)
Show SMILES CS(=O)(=O)N1CCC(CC1)c1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H31N3O6S/c1-38(34,35)30-14-8-19(9-15-30)26-17-22-16-20(6-7-25(22)37-26)27(32)29-12-10-23(11-13-29)31-24-5-3-2-4-21(24)18-36-28(31)33/h2-7,16-17,19,23H,8-15,18H2,1H3
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79n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219522
PNG
(CHEMBL28627)
Show SMILES CC(=O)N1CCN(Cc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)CC1
Show InChI InChI=1S/C29H32N4O5/c1-20(34)31-14-12-30(13-15-31)18-25-17-23-16-21(6-7-27(23)38-25)28(35)32-10-8-24(9-11-32)33-26-5-3-2-4-22(26)19-37-29(33)36/h2-7,16-17,24H,8-15,18-19H2,1H3
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79n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219728
PNG
(CHEMBL31986)
Show SMILES Cc1nc(sc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C23H22N4O3S/c1-15-20(31-21(25-15)16-6-10-24-11-7-16)22(28)26-12-8-18(9-13-26)27-19-5-3-2-4-17(19)14-30-23(27)29/h2-7,10-11,18H,8-9,12-14H2,1H3
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126n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219525
PNG
(CHEMBL287042)
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-/m0/s1
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]oxytocin from human Oxytocin receptor


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


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219529
PNG
(CHEMBL32740)
Show SMILES Cc1cc2cc(ccc2[nH]1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C23H23N3O3/c1-15-12-18-13-16(6-7-20(18)24-15)22(27)25-10-8-19(9-11-25)26-21-5-3-2-4-17(21)14-29-23(26)28/h2-7,12-13,19,24H,8-11,14H2,1H3
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126n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219721
PNG
(CHEMBL287293)
Show SMILES Cn1ccc2cc(ccc12)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C23H23N3O3/c1-24-11-8-16-14-17(6-7-20(16)24)22(27)25-12-9-19(10-13-25)26-21-5-3-2-4-18(21)15-29-23(26)28/h2-8,11,14,19H,9-10,12-13,15H2,1H3
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126n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219759
PNG
(CHEMBL285012)
Show SMILES CN(CCCn1ccc2cc(ccc12)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C27H32N4O5S/c1-28(37(2,34)35)13-5-14-29-15-10-20-18-21(8-9-24(20)29)26(32)30-16-11-23(12-17-30)31-25-7-4-3-6-22(25)19-36-27(31)33/h3-4,6-10,15,18,23H,5,11-14,16-17,19H2,1-2H3
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158n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219516
PNG
(CHEMBL286476)
Show SMILES CC(=O)N1CCC[C@@H]1Cn1ccc2cc(ccc12)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C29H32N4O4/c1-20(34)32-13-4-6-25(32)18-31-14-10-21-17-22(8-9-26(21)31)28(35)30-15-11-24(12-16-30)33-27-7-3-2-5-23(27)19-37-29(33)36/h2-3,5,7-10,14,17,24-25H,4,6,11-13,15-16,18-19H2,1H3/t25-/m1/s1
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158n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219443
PNG
(CHEMBL31665)
Show SMILES Cc1nc(ncc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12)-c1cccs1
Show InChI InChI=1S/C23H22N4O3S/c1-15-18(13-24-21(25-15)20-7-4-12-31-20)22(28)26-10-8-17(9-11-26)27-19-6-3-2-5-16(19)14-30-23(27)29/h2-7,12-13,17H,8-11,14H2,1H3
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158n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219508
PNG
(CHEMBL31941)
Show SMILES CS(=O)(=O)N1CCC[C@@H]1Cc1coc2cc(ccc12)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H31N3O6S/c1-38(34,35)30-12-4-6-23(30)15-21-18-36-26-16-19(8-9-24(21)26)27(32)29-13-10-22(11-14-29)31-25-7-3-2-5-20(25)17-37-28(31)33/h2-3,5,7-9,16,18,22-23H,4,6,10-15,17H2,1H3/t23-/m1/s1
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200n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219505
PNG
(CHEMBL282577)
Show SMILES O=C(N1CCC(CC1)N1C(=O)OCc2ccccc12)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C22H21N3O3/c26-21(16-6-5-15-7-10-23-19(15)13-16)24-11-8-18(9-12-24)25-20-4-2-1-3-17(20)14-28-22(25)27/h1-7,10,13,18,23H,8-9,11-12,14H2
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200n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219519
PNG
(CHEMBL31241)
Show SMILES O=C(N1CCC(CC1)N1C(=O)OCc2ccccc12)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H21N3O3/c26-21(16-5-6-19-15(13-16)7-10-23-19)24-11-8-18(9-12-24)25-20-4-2-1-3-17(20)14-28-22(25)27/h1-7,10,13,18,23H,8-9,11-12,14H2
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200n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219719
PNG
(CHEMBL288774)
Show SMILES CC(=O)N1CCCC(C1)c1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C29H31N3O5/c1-19(33)31-12-4-6-21(17-31)27-16-23-15-20(8-9-26(23)37-27)28(34)30-13-10-24(11-14-30)32-25-7-3-2-5-22(25)18-36-29(32)35/h2-3,5,7-9,15-16,21,24H,4,6,10-14,17-18H2,1H3
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200n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219510
PNG
(CHEMBL286084)
Show SMILES O=C(N1CCC(CC1)N1C(=O)OCc2ccccc12)c1ccc2occc2c1
Show InChI InChI=1S/C22H20N2O4/c25-21(16-5-6-20-15(13-16)9-12-27-20)23-10-7-18(8-11-23)24-19-4-2-1-3-17(19)14-28-22(24)26/h1-6,9,12-13,18H,7-8,10-11,14H2
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251n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219517
PNG
(CHEMBL285013)
Show SMILES CS(=O)(=O)NCCn1ccc2cc(ccc12)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C25H28N4O5S/c1-35(32,33)26-11-15-27-12-8-18-16-19(6-7-22(18)27)24(30)28-13-9-21(10-14-28)29-23-5-3-2-4-20(23)17-34-25(29)31/h2-8,12,16,21,26H,9-11,13-15,17H2,1H3
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316n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219527
PNG
(CHEMBL31691)
Show SMILES O=C(N1CCC(CC1)N1C(=O)OCc2ccccc12)c1ccc2ccoc2c1
Show InChI InChI=1S/C22H20N2O4/c25-21(16-6-5-15-9-12-27-20(15)13-16)23-10-7-18(8-11-23)24-19-4-2-1-3-17(19)14-28-22(24)26/h1-6,9,12-13,18H,7-8,10-11,14H2
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398n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219506
PNG
(CHEMBL32567)
Show SMILES CN(CCn1cnc2cc(ccc12)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C25H29N5O5S/c1-27(36(2,33)34)13-14-29-17-26-21-15-18(7-8-23(21)29)24(31)28-11-9-20(10-12-28)30-22-6-4-3-5-19(22)16-35-25(30)32/h3-8,15,17,20H,9-14,16H2,1-2H3
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398n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219722
PNG
(CHEMBL31823)
Show SMILES CC(=O)NCCn1ccc2cc(ccc12)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C26H28N4O4/c1-18(31)27-11-15-28-12-8-19-16-20(6-7-23(19)28)25(32)29-13-9-22(10-14-29)30-24-5-3-2-4-21(24)17-34-26(30)33/h2-8,12,16,22H,9-11,13-15,17H2,1H3,(H,27,31)
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398n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219724
PNG
(CHEMBL30865)
Show SMILES Cc1c(C)c2cc(ccc2n1C[C@H]1CCCN1S(C)(=O)=O)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C30H36N4O5S/c1-20-21(2)32(18-25-8-6-14-33(25)40(3,37)38)28-11-10-22(17-26(20)28)29(35)31-15-12-24(13-16-31)34-27-9-5-4-7-23(27)19-39-30(34)36/h4-5,7,9-11,17,24-25H,6,8,12-16,18-19H2,1-3H3/t25-/m1/s1
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398n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219521
PNG
(CHEMBL31645)
Show SMILES O=C(N1CCC(CC1)N1C(=O)OCc2ccccc12)c1ccc2[nH]ccc2n1
Show InChI InChI=1S/C21H20N4O3/c26-20(18-6-5-16-17(23-18)7-10-22-16)24-11-8-15(9-12-24)25-19-4-2-1-3-14(19)13-28-21(25)27/h1-7,10,15,22H,8-9,11-13H2
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794n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219512
PNG
(CHEMBL287067)
Show SMILES Cc1c[nH]c2ccc(cc12)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C23H23N3O3/c1-15-13-24-20-7-6-16(12-19(15)20)22(27)25-10-8-18(9-11-25)26-21-5-3-2-4-17(21)14-29-23(26)28/h2-7,12-13,18,24H,8-11,14H2,1H3
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794n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50219513
PNG
(CHEMBL32054)
Show SMILES O=C(N1CCC(CC1)N1C(=O)OCc2ccccc12)c1ccc2ncsc2c1
Show InChI InChI=1S/C21H19N3O3S/c25-20(14-5-6-17-19(11-14)28-13-22-17)23-9-7-16(8-10-23)24-18-4-2-1-3-15(18)12-27-21(24)26/h1-6,11,13,16H,7-10,12H2
PDB

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794n/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)


BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%