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PubMed code 26741855

Compile data set for download or QSAR
Found 65 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))		BDBM50205990
PNG
(CHEMBL395429 | OXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
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 0.800n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139178
PNG
(CHEMBL3763342)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)
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 27n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139178
PNG
(CHEMBL3763342)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)
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 58n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader method

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139179
PNG
(CHEMBL3763951)
Show SMILES COc1cc(CN2CCN(CC2)C(=O)NCc2ccc(cc2C)C(=O)N2Cc3cnn(C)c3Nc3ccccc23)cc(OC)c1
Show InChI InChI=1S/C34H39N7O4/c1-23-15-25(33(42)41-22-27-20-36-38(2)32(27)37-30-7-5-6-8-31(30)41)9-10-26(23)19-35-34(43)40-13-11-39(12-14-40)21-24-16-28(44-3)18-29(17-24)45-4/h5-10,15-18,20,37H,11-14,19,21-22H2,1-4H3,(H,35,43)
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 62n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139373
PNG
(CHEMBL3763823)
Show SMILES Cn1ncc2CN(C(=O)CCCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(39)11-5-3-2-4-8-12-34-13-15-35(16-14-34)21-23-17-25(37)19-26(38)18-23/h6-7,9-10,17-20,32,37-38H,2-5,8,11-16,21-22H2,1H3
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 64n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139178
PNG
(CHEMBL3763342)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)
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 113n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader method

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139183
PNG
(CHEMBL3763217)
Show SMILES Cn1ncc2CN(C(=O)CCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C29H38N6O3/c1-32-29-23(19-30-32)21-35(27-9-6-5-8-26(27)31-29)28(38)10-4-2-3-7-11-33-12-14-34(15-13-33)20-22-16-24(36)18-25(37)17-22/h5-6,8-9,16-19,31,36-37H,2-4,7,10-15,20-21H2,1H3
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 130n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139176
PNG
(CHEMBL3763174)
Show SMILES COc1cc(CN2CCN(CCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C31H42N6O3/c1-34-31-25(21-32-34)23-37(29-11-8-7-10-28(29)33-31)30(38)12-6-4-5-9-13-35-14-16-36(17-15-35)22-24-18-26(39-2)20-27(19-24)40-3/h7-8,10-11,18-21,33H,4-6,9,12-17,22-23H2,1-3H3
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 195n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139178
PNG
(CHEMBL3763342)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)
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 230n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139177
PNG
(CHEMBL3765689)
Show SMILES COc1cc(CN2CCN(CCCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C32H44N6O3/c1-35-32-26(22-33-35)24-38(30-12-9-8-11-29(30)34-32)31(39)13-7-5-4-6-10-14-36-15-17-37(18-16-36)23-25-19-27(40-2)21-28(20-25)41-3/h8-9,11-12,19-22,34H,4-7,10,13-18,23-24H2,1-3H3
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 248n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139146
PNG
(CHEMBL3765356)
Show SMILES COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(37)11-5-4-8-12-34-13-15-35(16-14-34)21-23-17-25(38-2)19-26(18-23)39-3/h6-7,9-10,17-20,32H,4-5,8,11-16,21-22H2,1-3H3
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 266n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139138
PNG
(CHEMBL3763620)
Show SMILES COc1cc(CN2CCN(CCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C29H38N6O3/c1-32-29-23(19-30-32)21-35(27-9-5-4-8-26(27)31-29)28(36)10-6-7-11-33-12-14-34(15-13-33)20-22-16-24(37-2)18-25(17-22)38-3/h4-5,8-9,16-19,31H,6-7,10-15,20-21H2,1-3H3
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 409n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139182
PNG
(CHEMBL3765525)
Show SMILES Cn1ncc2CN(C(=O)CCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C28H36N6O3/c1-31-28-22(18-29-31)20-34(26-8-5-4-7-25(26)30-28)27(37)9-3-2-6-10-32-11-13-33(14-12-32)19-21-15-23(35)17-24(36)16-21/h4-5,7-8,15-18,30,35-36H,2-3,6,9-14,19-20H2,1H3
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 449n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader method

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139180
PNG
(CHEMBL3764572)
Show SMILES Cn1ncc2CN(C(=O)CCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C27H34N6O3/c1-30-27-21(17-28-30)19-33(25-7-3-2-6-24(25)29-27)26(36)8-4-5-9-31-10-12-32(13-11-31)18-20-14-22(34)16-23(35)15-20/h2-3,6-7,14-17,29,34-35H,4-5,8-13,18-19H2,1H3
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 466n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139179
PNG
(CHEMBL3763951)
Show SMILES COc1cc(CN2CCN(CC2)C(=O)NCc2ccc(cc2C)C(=O)N2Cc3cnn(C)c3Nc3ccccc23)cc(OC)c1
Show InChI InChI=1S/C34H39N7O4/c1-23-15-25(33(42)41-22-27-20-36-38(2)32(27)37-30-7-5-6-8-31(30)41)9-10-26(23)19-35-34(43)40-13-11-39(12-14-40)21-24-16-28(44-3)18-29(17-24)45-4/h5-10,15-18,20,37H,11-14,19,21-22H2,1-4H3,(H,35,43)
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 801n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139146
PNG
(CHEMBL3765356)
Show SMILES COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(37)11-5-4-8-12-34-13-15-35(16-14-34)21-23-17-25(38-2)19-26(18-23)39-3/h6-7,9-10,17-20,32H,4-5,8,11-16,21-22H2,1-3H3
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 7.45E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139373
PNG
(CHEMBL3763823)
Show SMILES Cn1ncc2CN(C(=O)CCCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(39)11-5-3-2-4-8-12-34-13-15-35(16-14-34)21-23-17-25(37)19-26(38)18-23/h6-7,9-10,17-20,32,37-38H,2-5,8,11-16,21-22H2,1H3
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 8.35E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139176
PNG
(CHEMBL3763174)
Show SMILES COc1cc(CN2CCN(CCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C31H42N6O3/c1-34-31-25(21-32-34)23-37(29-11-8-7-10-28(29)33-31)30(38)12-6-4-5-9-13-35-14-16-36(17-15-35)22-24-18-26(39-2)20-27(19-24)40-3/h7-8,10-11,18-21,33H,4-6,9,12-17,22-23H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139180
PNG
(CHEMBL3764572)
Show SMILES Cn1ncc2CN(C(=O)CCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C27H34N6O3/c1-30-27-21(17-28-30)19-33(25-7-3-2-6-24(25)29-27)26(36)8-4-5-9-31-10-12-32(13-11-31)18-20-14-22(34)16-23(35)15-20/h2-3,6-7,14-17,29,34-35H,4-5,8-13,18-19H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [Tyrosyl-2,6-3H]-Oxytocin from recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells after 180 mins by liquid scintillat...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139183
PNG
(CHEMBL3763217)
Show SMILES Cn1ncc2CN(C(=O)CCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C29H38N6O3/c1-32-29-23(19-30-32)21-35(27-9-6-5-8-26(27)31-29)28(38)10-4-2-3-7-11-33-12-14-34(15-13-33)20-22-16-24(36)18-25(37)17-22/h5-6,8-9,16-19,31,36-37H,2-4,7,10-15,20-21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139138
PNG
(CHEMBL3763620)
Show SMILES COc1cc(CN2CCN(CCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C29H38N6O3/c1-32-29-23(19-30-32)21-35(27-9-5-4-8-26(27)31-29)28(36)10-6-7-11-33-12-14-34(15-13-33)20-22-16-24(37-2)18-25(17-22)38-3/h4-5,8-9,16-19,31H,6-7,10-15,20-21H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139177
PNG
(CHEMBL3765689)
Show SMILES COc1cc(CN2CCN(CCCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C32H44N6O3/c1-35-32-26(22-33-35)24-38(30-12-9-8-11-29(30)34-32)31(39)13-7-5-4-6-10-14-36-15-17-37(18-16-36)23-25-19-27(40-2)21-28(20-25)41-3/h8-9,11-12,19-22,34H,4-7,10,13-18,23-24H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139182
PNG
(CHEMBL3765525)
Show SMILES Cn1ncc2CN(C(=O)CCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C28H36N6O3/c1-31-28-22(18-29-31)20-34(26-8-5-4-7-25(26)30-28)27(37)9-3-2-6-10-32-11-13-33(14-12-32)19-21-15-23(35)17-24(36)16-21/h4-5,7-8,15-18,30,35-36H,2-3,6,9-14,19-20H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139178
PNG
(CHEMBL3763342)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)
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n/an/a 613n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [Tyrosyl-2,6-3H]-Oxytocin from recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells after 180 mins by liquid scintillat...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139179
PNG
(CHEMBL3763951)
Show SMILES COc1cc(CN2CCN(CC2)C(=O)NCc2ccc(cc2C)C(=O)N2Cc3cnn(C)c3Nc3ccccc23)cc(OC)c1
Show InChI InChI=1S/C34H39N7O4/c1-23-15-25(33(42)41-22-27-20-36-38(2)32(27)37-30-7-5-6-8-31(30)41)9-10-26(23)19-35-34(43)40-13-11-39(12-14-40)21-24-16-28(44-3)18-29(17-24)45-4/h5-10,15-18,20,37H,11-14,19,21-22H2,1-4H3,(H,35,43)
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n/an/a 1.11E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139179
PNG
(CHEMBL3763951)
Show SMILES COc1cc(CN2CCN(CC2)C(=O)NCc2ccc(cc2C)C(=O)N2Cc3cnn(C)c3Nc3ccccc23)cc(OC)c1
Show InChI InChI=1S/C34H39N7O4/c1-23-15-25(33(42)41-22-27-20-36-38(2)32(27)37-30-7-5-6-8-31(30)41)9-10-26(23)19-35-34(43)40-13-11-39(12-14-40)21-24-16-28(44-3)18-29(17-24)45-4/h5-10,15-18,20,37H,11-14,19,21-22H2,1-4H3,(H,35,43)
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n/an/a 4.13E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 3...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139373
PNG
(CHEMBL3763823)
Show SMILES Cn1ncc2CN(C(=O)CCCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(39)11-5-3-2-4-8-12-34-13-15-35(16-14-34)21-23-17-25(37)19-26(38)18-23/h6-7,9-10,17-20,32,37-38H,2-5,8,11-16,21-22H2,1H3
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n/an/a 4.67E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader method

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139177
PNG
(CHEMBL3765689)
Show SMILES COc1cc(CN2CCN(CCCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C32H44N6O3/c1-35-32-26(22-33-35)24-38(30-12-9-8-11-29(30)34-32)31(39)13-7-5-4-6-10-14-36-15-17-37(18-16-36)23-25-19-27(40-2)21-28(20-25)41-3/h8-9,11-12,19-22,34H,4-7,10,13-18,23-24H2,1-3H3
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n/an/a 7.67E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader method

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139146
PNG
(CHEMBL3765356)
Show SMILES COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(37)11-5-4-8-12-34-13-15-35(16-14-34)21-23-17-25(38-2)19-26(18-23)39-3/h6-7,9-10,17-20,32H,4-5,8,11-16,21-22H2,1-3H3
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n/an/a 8.20E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader method

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139176
PNG
(CHEMBL3763174)
Show SMILES COc1cc(CN2CCN(CCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C31H42N6O3/c1-34-31-25(21-32-34)23-37(29-11-8-7-10-28(29)33-31)30(38)12-6-4-5-9-13-35-14-16-36(17-15-35)22-24-18-26(39-2)20-27(19-24)40-3/h7-8,10-11,18-21,33H,4-6,9,12-17,22-23H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader method

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139180
PNG
(CHEMBL3764572)
Show SMILES Cn1ncc2CN(C(=O)CCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C27H34N6O3/c1-30-27-21(17-28-30)19-33(25-7-3-2-6-24(25)29-27)26(36)8-4-5-9-31-10-12-32(13-11-31)18-20-14-22(34)16-23(35)15-20/h2-3,6-7,14-17,29,34-35H,4-5,8-13,18-19H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139178
PNG
(CHEMBL3763342)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 3...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139182
PNG
(CHEMBL3765525)
Show SMILES Cn1ncc2CN(C(=O)CCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C28H36N6O3/c1-31-28-22(18-29-31)20-34(26-8-5-4-7-25(26)30-28)27(37)9-3-2-6-10-32-11-13-33(14-12-32)19-21-15-23(35)17-24(36)16-21/h4-5,7-8,15-18,30,35-36H,2-3,6,9-14,19-20H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader method

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139182
PNG
(CHEMBL3765525)
Show SMILES Cn1ncc2CN(C(=O)CCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C28H36N6O3/c1-31-28-22(18-29-31)20-34(26-8-5-4-7-25(26)30-28)27(37)9-3-2-6-10-32-11-13-33(14-12-32)19-21-15-23(35)17-24(36)16-21/h4-5,7-8,15-18,30,35-36H,2-3,6,9-14,19-20H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR ass...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139176
PNG
(CHEMBL3763174)
Show SMILES COc1cc(CN2CCN(CCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C31H42N6O3/c1-34-31-25(21-32-34)23-37(29-11-8-7-10-28(29)33-31)30(38)12-6-4-5-9-13-35-14-16-36(17-15-35)22-24-18-26(39-2)20-27(19-24)40-3/h7-8,10-11,18-21,33H,4-6,9,12-17,22-23H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 3...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139177
PNG
(CHEMBL3765689)
Show SMILES COc1cc(CN2CCN(CCCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C32H44N6O3/c1-35-32-26(22-33-35)24-38(30-12-9-8-11-29(30)34-32)31(39)13-7-5-4-6-10-14-36-15-17-37(18-16-36)23-25-19-27(40-2)21-28(20-25)41-3/h8-9,11-12,19-22,34H,4-7,10,13-18,23-24H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 3...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139183
PNG
(CHEMBL3763217)
Show SMILES Cn1ncc2CN(C(=O)CCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C29H38N6O3/c1-32-29-23(19-30-32)21-35(27-9-6-5-8-26(27)31-29)28(38)10-4-2-3-7-11-33-12-14-34(15-13-33)20-22-16-24(36)18-25(37)17-22/h5-6,8-9,16-19,31,36-37H,2-4,7,10-15,20-21H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 3...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139183
PNG
(CHEMBL3763217)
Show SMILES Cn1ncc2CN(C(=O)CCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C29H38N6O3/c1-32-29-23(19-30-32)21-35(27-9-6-5-8-26(27)31-29)28(38)10-4-2-3-7-11-33-12-14-34(15-13-33)20-22-16-24(36)18-25(37)17-22/h5-6,8-9,16-19,31,36-37H,2-4,7,10-15,20-21H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 3...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139373
PNG
(CHEMBL3763823)
Show SMILES Cn1ncc2CN(C(=O)CCCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(39)11-5-3-2-4-8-12-34-13-15-35(16-14-34)21-23-17-25(37)19-26(38)18-23/h6-7,9-10,17-20,32,37-38H,2-5,8,11-16,21-22H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 3...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139138
PNG
(CHEMBL3763620)
Show SMILES COc1cc(CN2CCN(CCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C29H38N6O3/c1-32-29-23(19-30-32)21-35(27-9-5-4-8-26(27)31-29)28(36)10-6-7-11-33-12-14-34(15-13-33)20-22-16-24(37-2)18-25(17-22)38-3/h4-5,8-9,16-19,31H,6-7,10-15,20-21H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 3...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139180
PNG
(CHEMBL3764572)
Show SMILES Cn1ncc2CN(C(=O)CCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C27H34N6O3/c1-30-27-21(17-28-30)19-33(25-7-3-2-6-24(25)29-27)26(36)8-4-5-9-31-10-12-32(13-11-31)18-20-14-22(34)16-23(35)15-20/h2-3,6-7,14-17,29,34-35H,4-5,8-13,18-19H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to vasopressin 1a receptor (unknown origin)

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139146
PNG
(CHEMBL3765356)
Show SMILES COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(37)11-5-4-8-12-34-13-15-35(16-14-34)21-23-17-25(38-2)19-26(18-23)39-3/h6-7,9-10,17-20,32H,4-5,8,11-16,21-22H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 3...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139138
PNG
(CHEMBL3763620)
Show SMILES COc1cc(CN2CCN(CCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C29H38N6O3/c1-32-29-23(19-30-32)21-35(27-9-5-4-8-26(27)31-29)28(36)10-6-7-11-33-12-14-34(15-13-33)20-22-16-24(37-2)18-25(17-22)38-3/h4-5,8-9,16-19,31H,6-7,10-15,20-21H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader method

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139183
PNG
(CHEMBL3763217)
Show SMILES Cn1ncc2CN(C(=O)CCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C29H38N6O3/c1-32-29-23(19-30-32)21-35(27-9-6-5-8-26(27)31-29)28(38)10-4-2-3-7-11-33-12-14-34(15-13-33)20-22-16-24(36)18-25(37)17-22/h5-6,8-9,16-19,31,36-37H,2-4,7,10-15,20-21H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader method

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50205990
PNG
(CHEMBL395429 | OXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR ass...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139183
PNG
(CHEMBL3763217)
Show SMILES Cn1ncc2CN(C(=O)CCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C29H38N6O3/c1-32-29-23(19-30-32)21-35(27-9-6-5-8-26(27)31-29)28(38)10-4-2-3-7-11-33-12-14-34(15-13-33)20-22-16-24(36)18-25(37)17-22/h5-6,8-9,16-19,31,36-37H,2-4,7,10-15,20-21H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed b...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139177
PNG
(CHEMBL3765689)
Show SMILES COc1cc(CN2CCN(CCCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C32H44N6O3/c1-35-32-26(22-33-35)24-38(30-12-9-8-11-29(30)34-32)31(39)13-7-5-4-6-10-14-36-15-17-37(18-16-36)23-25-19-27(40-2)21-28(20-25)41-3/h8-9,11-12,19-22,34H,4-7,10,13-18,23-24H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed b...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139146
PNG
(CHEMBL3765356)
Show SMILES COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(37)11-5-4-8-12-34-13-15-35(16-14-34)21-23-17-25(38-2)19-26(18-23)39-3/h6-7,9-10,17-20,32H,4-5,8,11-16,21-22H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139180
PNG
(CHEMBL3764572)
Show SMILES Cn1ncc2CN(C(=O)CCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C27H34N6O3/c1-30-27-21(17-28-30)19-33(25-7-3-2-6-24(25)29-27)26(36)8-4-5-9-31-10-12-32(13-11-31)18-20-14-22(34)16-23(35)15-20/h2-3,6-7,14-17,29,34-35H,4-5,8-13,18-19H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed b...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139179
PNG
(CHEMBL3763951)
Show SMILES COc1cc(CN2CCN(CC2)C(=O)NCc2ccc(cc2C)C(=O)N2Cc3cnn(C)c3Nc3ccccc23)cc(OC)c1
Show InChI InChI=1S/C34H39N7O4/c1-23-15-25(33(42)41-22-27-20-36-38(2)32(27)37-30-7-5-6-8-31(30)41)9-10-26(23)19-35-34(43)40-13-11-39(12-14-40)21-24-16-28(44-3)18-29(17-24)45-4/h5-10,15-18,20,37H,11-14,19,21-22H2,1-4H3,(H,35,43)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed b...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139373
PNG
(CHEMBL3763823)
Show SMILES Cn1ncc2CN(C(=O)CCCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(39)11-5-3-2-4-8-12-34-13-15-35(16-14-34)21-23-17-25(37)19-26(38)18-23/h6-7,9-10,17-20,32,37-38H,2-5,8,11-16,21-22H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed b...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139138
PNG
(CHEMBL3763620)
Show SMILES COc1cc(CN2CCN(CCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C29H38N6O3/c1-32-29-23(19-30-32)21-35(27-9-5-4-8-26(27)31-29)28(36)10-6-7-11-33-12-14-34(15-13-33)20-22-16-24(37-2)18-25(17-22)38-3/h4-5,8-9,16-19,31H,6-7,10-15,20-21H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed b...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139176
PNG
(CHEMBL3763174)
Show SMILES COc1cc(CN2CCN(CCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C31H42N6O3/c1-34-31-25(21-32-34)23-37(29-11-8-7-10-28(29)33-31)30(38)12-6-4-5-9-13-35-14-16-36(17-15-35)22-24-18-26(39-2)20-27(19-24)40-3/h7-8,10-11,18-21,33H,4-6,9,12-17,22-23H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed b...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139177
PNG
(CHEMBL3765689)
Show SMILES COc1cc(CN2CCN(CCCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C32H44N6O3/c1-35-32-26(22-33-35)24-38(30-12-9-8-11-29(30)34-32)31(39)13-7-5-4-6-10-14-36-15-17-37(18-16-36)23-25-19-27(40-2)21-28(20-25)41-3/h8-9,11-12,19-22,34H,4-7,10,13-18,23-24H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139178
PNG
(CHEMBL3763342)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)
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n/an/an/an/a 420n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139373
PNG
(CHEMBL3763823)
Show SMILES Cn1ncc2CN(C(=O)CCCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(39)11-5-3-2-4-8-12-34-13-15-35(16-14-34)21-23-17-25(37)19-26(38)18-23/h6-7,9-10,17-20,32,37-38H,2-5,8,11-16,21-22H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139146
PNG
(CHEMBL3765356)
Show SMILES COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(37)11-5-4-8-12-34-13-15-35(16-14-34)21-23-17-25(38-2)19-26(18-23)39-3/h6-7,9-10,17-20,32H,4-5,8,11-16,21-22H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed b...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139176
PNG
(CHEMBL3763174)
Show SMILES COc1cc(CN2CCN(CCCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C31H42N6O3/c1-34-31-25(21-32-34)23-37(29-11-8-7-10-28(29)33-31)30(38)12-6-4-5-9-13-35-14-16-36(17-15-35)22-24-18-26(39-2)20-27(19-24)40-3/h7-8,10-11,18-21,33H,4-6,9,12-17,22-23H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139182
PNG
(CHEMBL3765525)
Show SMILES Cn1ncc2CN(C(=O)CCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C28H36N6O3/c1-31-28-22(18-29-31)20-34(26-8-5-4-7-25(26)30-28)27(37)9-3-2-6-10-32-11-13-33(14-12-32)19-21-15-23(35)17-24(36)16-21/h4-5,7-8,15-18,30,35-36H,2-3,6,9-14,19-20H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139138
PNG
(CHEMBL3763620)
Show SMILES COc1cc(CN2CCN(CCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Show InChI InChI=1S/C29H38N6O3/c1-32-29-23(19-30-32)21-35(27-9-5-4-8-26(27)31-29)28(36)10-6-7-11-33-12-14-34(15-13-33)20-22-16-24(37-2)18-25(17-22)38-3/h4-5,8-9,16-19,31H,6-7,10-15,20-21H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139179
PNG
(CHEMBL3763951)
Show SMILES COc1cc(CN2CCN(CC2)C(=O)NCc2ccc(cc2C)C(=O)N2Cc3cnn(C)c3Nc3ccccc23)cc(OC)c1
Show InChI InChI=1S/C34H39N7O4/c1-23-15-25(33(42)41-22-27-20-36-38(2)32(27)37-30-7-5-6-8-31(30)41)9-10-26(23)19-35-34(43)40-13-11-39(12-14-40)21-24-16-28(44-3)18-29(17-24)45-4/h5-10,15-18,20,37H,11-14,19,21-22H2,1-4H3,(H,35,43)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139178
PNG
(CHEMBL3763342)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)
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n/an/an/an/a 61n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 3...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139182
PNG
(CHEMBL3765525)
Show SMILES Cn1ncc2CN(C(=O)CCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C28H36N6O3/c1-31-28-22(18-29-31)20-34(26-8-5-4-7-25(26)30-28)27(37)9-3-2-6-10-32-11-13-33(14-12-32)19-21-15-23(35)17-24(36)16-21/h4-5,7-8,15-18,30,35-36H,2-3,6,9-14,19-20H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed b...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50139180
PNG
(CHEMBL3764572)
Show SMILES Cn1ncc2CN(C(=O)CCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12
Show InChI InChI=1S/C27H34N6O3/c1-30-27-21(17-28-30)19-33(25-7-3-2-6-24(25)29-27)26(36)8-4-5-9-31-10-12-32(13-11-31)18-20-14-22(34)16-23(35)15-20/h2-3,6-7,14-17,29,34-35H,4-5,8-13,18-19H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50139178
PNG
(CHEMBL3763342)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed b...

Eur J Med Chem 108: 730-40 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.050
BindingDB Entry DOI: 10.7270/Q2XW4MNF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%