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PubMed code 1331448

Compile data set for download or QSAR
Found 101 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


(RAT)		BDBM50406692
PNG
(CHEMBL2112249)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-19-9-7-14-35(50)41(55)49-18-8-6-13-33(49)39(53)46-32(23-30-24-43-25-44-30)40(54)48-20-10-15-34(48)38(52)45-31(37(51)47-36)22-27-16-17-28-11-4-5-12-29(28)21-27/h4-5,11-12,16-17,21,24-26,31-36H,3,6-10,13-15,18-20,22-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1
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PubMed
 0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from pregnant rats

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM81894
PNG
(Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-D-Pyz-L-Pip-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C39H50N10O6/c1-3-23(2)33-39(55)49-32(13-8-15-43-49)38(54)48-16-7-6-12-30(48)36(52)45-29(19-25-21-40-22-42-25)37(53)47-17-9-14-31(47)35(51)44-28(34(50)46-33)18-24-20-41-27-11-5-4-10-26(24)27/h4-5,10-11,15,20-23,28-33,41H,3,6-9,12-14,16-19H2,1-2H3,(H,40,42)(H,44,51)(H,45,52)(H,46,50)/t23-,28+,29+,30-,31-,32+,33-/m0/s1
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 1.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from nonlabor pregnant women

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM81894
PNG
(Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-D-Pyz-L-Pip-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C39H50N10O6/c1-3-23(2)33-39(55)49-32(13-8-15-43-49)38(54)48-16-7-6-12-30(48)36(52)45-29(19-25-21-40-22-42-25)37(53)47-17-9-14-31(47)35(51)44-28(34(50)46-33)18-24-20-41-27-11-5-4-10-26(24)27/h4-5,10-11,15,20-23,28-33,41H,3,6-9,12-14,16-19H2,1-2H3,(H,40,42)(H,44,51)(H,45,52)(H,46,50)/t23-,28+,29+,30-,31-,32+,33-/m0/s1
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 1.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit AVP stimulation of adenylate cyclase activity in the rat kidney medulla (AVP-V2) receptor

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM81894
PNG
(Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-D-Pyz-L-Pip-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C39H50N10O6/c1-3-23(2)33-39(55)49-32(13-8-15-43-49)38(54)48-16-7-6-12-30(48)36(52)45-29(19-25-21-40-22-42-25)37(53)47-17-9-14-31(47)35(51)44-28(34(50)46-33)18-24-20-41-27-11-5-4-10-26(24)27/h4-5,10-11,15,20-23,28-33,41H,3,6-9,12-14,16-19H2,1-2H3,(H,40,42)(H,44,51)(H,45,52)(H,46,50)/t23-,28+,29+,30-,31-,32+,33-/m0/s1
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 2.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from near-term pregnant rhesus m...

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001311
PNG
(24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C43H56N8O6/c1-4-27(2)37-43(57)50-20-11-10-17-34(50)41(55)51-22-19-44-26-36(51)40(54)48(3)35(23-28-13-6-5-7-14-28)42(56)49-21-12-18-33(49)39(53)46-32(38(52)47-37)24-29-25-45-31-16-9-8-15-30(29)31/h5-9,13-16,25,27,32-37,44-45H,4,10-12,17-24,26H2,1-3H3,(H,46,53)(H,47,52)/t27-,32+,33-,34+,35+,36-,37-/m0/s1
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 3.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from pregnant rats

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50001311
PNG
(24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C43H56N8O6/c1-4-27(2)37-43(57)50-20-11-10-17-34(50)41(55)51-22-19-44-26-36(51)40(54)48(3)35(23-28-13-6-5-7-14-28)42(56)49-21-12-18-33(49)39(53)46-32(38(52)47-37)24-29-25-45-31-16-9-8-15-30(29)31/h5-9,13-16,25,27,32-37,44-45H,4,10-12,17-24,26H2,1-3H3,(H,46,53)(H,47,52)/t27-,32+,33-,34+,35+,36-,37-/m0/s1
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 4.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from nonlabor pregnant women

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50001311
PNG
(24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C43H56N8O6/c1-4-27(2)37-43(57)50-20-11-10-17-34(50)41(55)51-22-19-44-26-36(51)40(54)48(3)35(23-28-13-6-5-7-14-28)42(56)49-21-12-18-33(49)39(53)46-32(38(52)47-37)24-29-25-45-31-16-9-8-15-30(29)31/h5-9,13-16,25,27,32-37,44-45H,4,10-12,17-24,26H2,1-3H3,(H,46,53)(H,47,52)/t27-,32+,33-,34+,35+,36-,37-/m0/s1
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 4.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from near-term pregnant rhesus m...

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50406692
PNG
(CHEMBL2112249)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-19-9-7-14-35(50)41(55)49-18-8-6-13-33(49)39(53)46-32(23-30-24-43-25-44-30)40(54)48-20-10-15-34(48)38(52)45-31(37(51)47-36)22-27-16-17-28-11-4-5-12-29(28)21-27/h4-5,11-12,16-17,21,24-26,31-36H,3,6-10,13-15,18-20,22-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1
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 5.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from pregnant rats

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50368435
PNG
(CHEMBL1790937)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H53N9O6/c1-3-24(2)34-40(55)49-17-9-7-14-33(49)39(54)48-16-8-6-13-31(48)37(52)45-30(20-26-22-41-23-43-26)38(53)47-18-10-15-32(47)36(51)44-29(35(50)46-34)19-25-21-42-28-12-5-4-11-27(25)28/h4-5,11-12,21-24,29-34,42H,3,6-10,13-20H2,1-2H3,(H,41,43)(H,44,51)(H,45,52)(H,46,50)/t24-,29-,30-,31+,32+,33-,34+/m1/s1
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 6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from pregnant rats

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001307
PNG
(18-(3-Amino-propyl)-6,15-dibenzyl-3-sec-butyl-16-m...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C40H54N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)37(51)43-29(18-11-21-41)38(52)46(3)33(25-28-16-9-6-10-17-28)39(53)47-23-13-20-31(47)36(50)44-30(35(49)45-34)24-27-14-7-5-8-15-27/h5-10,14-17,22,26,29-34H,4,11-13,18-21,23-25,41H2,1-3H3,(H,43,51)(H,44,50)(H,45,49)/t26-,29-,30+,31-,32+,33+,34-/m0/s1
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 6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50406692
PNG
(CHEMBL2112249)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-19-9-7-14-35(50)41(55)49-18-8-6-13-33(49)39(53)46-32(23-30-24-43-25-44-30)40(54)48-20-10-15-34(48)38(52)45-31(37(51)47-36)22-27-16-17-28-11-4-5-12-29(28)21-27/h4-5,11-12,16-17,21,24-26,31-36H,3,6-10,13-15,18-20,22-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1
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 6.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from nonlabor pregnant women

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001309
PNG
((cyclo-[L-propyl-D-phenylalanyl-L-isoleucyl-D-dehy...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29+,30-,31-,32+,33+,34-/m0/s1
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 7.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat uterine receptor was determined using [3H]oxytocin as radioligand

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50368435
PNG
(CHEMBL1790937)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H53N9O6/c1-3-24(2)34-40(55)49-17-9-7-14-33(49)39(54)48-16-8-6-13-31(48)37(52)45-30(20-26-22-41-23-43-26)38(53)47-18-10-15-32(47)36(51)44-29(35(50)46-34)19-25-21-42-28-12-5-4-11-27(25)28/h4-5,11-12,21-24,29-34,42H,3,6-10,13-20H2,1-2H3,(H,41,43)(H,44,51)(H,45,52)(H,46,50)/t24-,29-,30-,31+,32+,33-,34+/m1/s1
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 9.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from nonlabor pregnant women

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50368435
PNG
(CHEMBL1790937)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H53N9O6/c1-3-24(2)34-40(55)49-17-9-7-14-33(49)39(54)48-16-8-6-13-31(48)37(52)45-30(20-26-22-41-23-43-26)38(53)47-18-10-15-32(47)36(51)44-29(35(50)46-34)19-25-21-42-28-12-5-4-11-27(25)28/h4-5,11-12,21-24,29-34,42H,3,6-10,13-20H2,1-2H3,(H,41,43)(H,44,51)(H,45,52)(H,46,50)/t24-,29-,30-,31+,32+,33-,34+/m1/s1
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 17n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from near-term pregnant rhesus m...

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50001307
PNG
(18-(3-Amino-propyl)-6,15-dibenzyl-3-sec-butyl-16-m...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C40H54N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)37(51)43-29(18-11-21-41)38(52)46(3)33(25-28-16-9-6-10-17-28)39(53)47-23-13-20-31(47)36(50)44-30(35(49)45-34)24-27-14-7-5-8-15-27/h5-10,14-17,22,26,29-34H,4,11-13,18-21,23-25,41H2,1-3H3,(H,43,51)(H,44,50)(H,45,49)/t26-,29-,30+,31-,32+,33+,34-/m0/s1
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 21n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from nonlabor pregnant women

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50001307
PNG
(18-(3-Amino-propyl)-6,15-dibenzyl-3-sec-butyl-16-m...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C40H54N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)37(51)43-29(18-11-21-41)38(52)46(3)33(25-28-16-9-6-10-17-28)39(53)47-23-13-20-31(47)36(50)44-30(35(49)45-34)24-27-14-7-5-8-15-27/h5-10,14-17,22,26,29-34H,4,11-13,18-21,23-25,41H2,1-3H3,(H,43,51)(H,44,50)(H,45,49)/t26-,29-,30+,31-,32+,33+,34-/m0/s1
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 33n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from near-term pregnant rhesus m...

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)		BDBM50001309
PNG
((cyclo-[L-propyl-D-phenylalanyl-L-isoleucyl-D-dehy...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29+,30-,31-,32+,33+,34-/m0/s1
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 370n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from nonlabor pregnant women

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin receptor


(Rattus norvegicus (Rat))		BDBM50001309
PNG
((cyclo-[L-propyl-D-phenylalanyl-L-isoleucyl-D-dehy...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29+,30-,31-,32+,33+,34-/m0/s1
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 820n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat kidney V2 receptor was determined using [3H]arginine vasopressin as radioligand

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50406692
PNG
(CHEMBL2112249)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-19-9-7-14-35(50)41(55)49-18-8-6-13-33(49)39(53)46-32(23-30-24-43-25-44-30)40(54)48-20-10-15-34(48)38(52)45-31(37(51)47-36)22-27-16-17-28-11-4-5-12-29(28)21-27/h4-5,11-12,16-17,21,24-26,31-36H,3,6-10,13-15,18-20,22-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM81894
PNG
(Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-D-Pyz-L-Pip-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C39H50N10O6/c1-3-23(2)33-39(55)49-32(13-8-15-43-49)38(54)48-16-7-6-12-30(48)36(52)45-29(19-25-21-40-22-42-25)37(53)47-17-9-14-31(47)35(51)44-28(34(50)46-33)18-24-20-41-27-11-5-4-10-26(24)27/h4-5,10-11,15,20-23,28-33,41H,3,6-9,12-14,16-19H2,1-2H3,(H,40,42)(H,44,51)(H,45,52)(H,46,50)/t23-,28+,29+,30-,31-,32+,33-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50406697
PNG
(CHEMBL2112250)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-20-9-7-17-35(50)41(55)49-19-8-6-16-33(49)39(53)46-32(23-29-24-43-25-44-29)40(54)48-21-11-18-34(48)38(52)45-31(37(51)47-36)22-28-14-10-13-27-12-4-5-15-30(27)28/h4-5,10,12-15,24-26,31-36H,3,6-9,11,16-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1
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n/an/a 8.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001311
PNG
(24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C43H56N8O6/c1-4-27(2)37-43(57)50-20-11-10-17-34(50)41(55)51-22-19-44-26-36(51)40(54)48(3)35(23-28-13-6-5-7-14-28)42(56)49-21-12-18-33(49)39(53)46-32(38(52)47-37)24-29-25-45-31-16-9-8-15-30(29)31/h5-9,13-16,25,27,32-37,44-45H,4,10-12,17-24,26H2,1-3H3,(H,46,53)(H,47,52)/t27-,32+,33-,34+,35+,36-,37-/m0/s1
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n/an/a 8.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from pregnant rats

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50406698
PNG
(CHEMBL2112247)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C41H55N9O6/c1-4-25(2)35-41(56)50-18-10-8-15-34(50)40(55)49-17-9-7-14-32(49)38(53)45-30(21-27-22-42-24-43-27)39(54)48-19-11-16-33(48)37(52)44-29(36(51)46-35)20-26-23-47(3)31-13-6-5-12-28(26)31/h5-6,12-13,22-25,29-30,32-35H,4,7-11,14-21H2,1-3H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)/t25-,29+,30+,32-,33-,34+,35-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001313
PNG
(18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-16-methyl...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C46H61N7O6/c1-4-30(2)40-46(59)53-25-13-11-20-37(53)42(55)48-35(19-10-12-24-47)44(57)51(3)39(29-31-15-6-5-7-16-31)45(58)52-26-14-21-38(52)43(56)49-36(41(54)50-40)28-32-22-23-33-17-8-9-18-34(33)27-32/h5-9,15-18,22-23,27,30,35-40H,4,10-14,19-21,24-26,28-29,47H2,1-3H3,(H,48,55)(H,49,56)(H,50,54)/t30-,35-,36+,37+,38-,39+,40-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001323
PNG
(16,24-dibenzyl-25-methyl-13-[1-methyl-(1S)-propyl]...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C41H53N7O6/c1-4-27(2)35-41(54)48-33(20-13-22-42-48)39(52)47-23-12-11-19-32(47)38(51)45(3)34(26-29-17-9-6-10-18-29)40(53)46-24-14-21-31(46)37(50)43-30(36(49)44-35)25-28-15-7-5-8-16-28/h5-10,15-18,22,27,30-35H,4,11-14,19-21,23-26H2,1-3H3,(H,43,50)(H,44,49)/t27-,30+,31-,32-,33+,34+,35-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50368435
PNG
(CHEMBL1790937)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H53N9O6/c1-3-24(2)34-40(55)49-17-9-7-14-33(49)39(54)48-16-8-6-13-31(48)37(52)45-30(20-26-22-41-23-43-26)38(53)47-18-10-15-32(47)36(51)44-29(35(50)46-34)19-25-21-42-28-12-5-4-11-27(25)28/h4-5,11-12,21-24,29-34,42H,3,6-10,13-20H2,1-2H3,(H,41,43)(H,44,51)(H,45,52)(H,46,50)/t24-,29-,30-,31+,32+,33-,34+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001307
PNG
(18-(3-Amino-propyl)-6,15-dibenzyl-3-sec-butyl-16-m...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C40H54N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)37(51)43-29(18-11-21-41)38(52)46(3)33(25-28-16-9-6-10-17-28)39(53)47-23-13-20-31(47)36(50)44-30(35(49)45-34)24-27-14-7-5-8-15-27/h5-10,14-17,22,26,29-34H,4,11-13,18-21,23-25,41H2,1-3H3,(H,43,51)(H,44,50)(H,45,49)/t26-,29-,30+,31-,32+,33+,34-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50368438
PNG
(CHEMBL1790938)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C41H55N9O6/c1-4-25(2)35-41(56)50-18-10-8-15-33(50)39(54)49-17-9-7-14-32(49)38(53)47(3)34(21-27-23-42-24-44-27)40(55)48-19-11-16-31(48)37(52)45-30(36(51)46-35)20-26-22-43-29-13-6-5-12-28(26)29/h5-6,12-13,22-25,30-35,43H,4,7-11,14-21H2,1-3H3,(H,42,44)(H,45,52)(H,46,51)/t25-,30-,31+,32+,33-,34-,35+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001309
PNG
((cyclo-[L-propyl-D-phenylalanyl-L-isoleucyl-D-dehy...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29+,30-,31-,32+,33+,34-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50406696
PNG
(CHEMBL2112651)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C44H57N7O6/c1-4-28(2)38-44(57)51-23-13-11-20-36(51)42(55)50-22-12-10-19-35(50)41(54)48(3)37(25-29-15-6-5-7-16-29)43(56)49-24-14-21-34(49)40(53)46-33(39(52)47-38)26-30-27-45-32-18-9-8-17-31(30)32/h5-9,15-18,27-28,33-38,45H,4,10-14,19-26H2,1-3H3,(H,46,53)(H,47,52)/t28-,33+,34-,35-,36+,37+,38-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001303
PNG
(18-(3-Amino-propyl)-15-benzyl-3-sec-butyl-6-(1H-in...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C42H55N9O6/c1-4-26(2)36-42(57)51-34(18-11-21-45-51)39(54)46-31(17-10-20-43)40(55)49(3)35(23-27-13-6-5-7-14-27)41(56)50-22-12-19-33(50)38(53)47-32(37(52)48-36)24-28-25-44-30-16-9-8-15-29(28)30/h5-9,13-16,21,25-26,31-36,44H,4,10-12,17-20,22-24,43H2,1-3H3,(H,46,54)(H,47,53)(H,48,52)/t26-,31-,32+,33-,34+,35+,36-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001333
PNG
(18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-16-methyl...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C46H61N7O6/c1-4-30(2)40-46(59)53-26-13-11-23-37(53)42(55)48-35(22-10-12-25-47)44(57)51(3)39(28-31-16-6-5-7-17-31)45(58)52-27-15-24-38(52)43(56)49-36(41(54)50-40)29-33-20-14-19-32-18-8-9-21-34(32)33/h5-9,14,16-21,30,35-40H,4,10-13,15,22-29,47H2,1-3H3,(H,48,55)(H,49,56)(H,50,54)/t30-,35-,36+,37+,38-,39+,40-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001317
PNG
(18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-6-(1H-ind...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C44H60N8O6/c1-4-28(2)38-44(58)52-23-13-11-20-35(52)40(54)47-33(19-10-12-22-45)42(56)50(3)37(25-29-15-6-5-7-16-29)43(57)51-24-14-21-36(51)41(55)48-34(39(53)49-38)26-30-27-46-32-18-9-8-17-31(30)32/h5-9,15-18,27-28,33-38,46H,4,10-14,19-26,45H2,1-3H3,(H,47,54)(H,48,55)(H,49,53)/t28-,33-,34+,35+,36-,37+,38-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001310
PNG
(13-butyl-24-(1H-4-imidazolylmethyl)-16-(1H-3-indol...)
Show SMILES CCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H53N9O6/c1-2-3-12-29-38(53)49-18-9-7-15-34(49)40(55)48-17-8-6-14-32(48)37(52)46-31(21-26-23-41-24-43-26)39(54)47-19-10-16-33(47)36(51)45-30(35(50)44-29)20-25-22-42-28-13-5-4-11-27(25)28/h4-5,11,13,22-24,29-34,42H,2-3,6-10,12,14-21H2,1H3,(H,41,43)(H,44,50)(H,45,51)(H,46,52)/t29-,30+,31+,32-,33-,34+/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50406691
PNG
(CHEMBL2112654)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C38H52N8O6/c1-3-24(2)32-38(52)46-18-10-8-15-31(46)37(51)45-17-9-7-14-29(45)35(49)42-28(21-26-22-39-23-40-26)36(50)44-19-11-16-30(44)34(48)41-27(33(47)43-32)20-25-12-5-4-6-13-25/h4-6,12-13,22-24,27-32H,3,7-11,14-21H2,1-2H3,(H,39,40)(H,41,48)(H,42,49)(H,43,47)/t24-,27+,28+,29-,30-,31+,32-/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50001313
PNG
(18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-16-methyl...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C46H61N7O6/c1-4-30(2)40-46(59)53-25-13-11-20-37(53)42(55)48-35(19-10-12-24-47)44(57)51(3)39(29-31-15-6-5-7-16-31)45(58)52-26-14-21-38(52)43(56)49-36(41(54)50-40)28-32-22-23-33-17-8-9-18-34(33)27-32/h5-9,15-18,22-23,27,30,35-40H,4,10-14,19-21,24-26,28-29,47H2,1-3H3,(H,48,55)(H,49,56)(H,50,54)/t30-,35-,36+,37+,38-,39+,40-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50001333
PNG
(18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-16-methyl...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C46H61N7O6/c1-4-30(2)40-46(59)53-26-13-11-23-37(53)42(55)48-35(22-10-12-25-47)44(57)51(3)39(28-31-16-6-5-7-17-31)45(58)52-27-15-24-38(52)43(56)49-36(41(54)50-40)29-33-20-14-19-32-18-8-9-21-34(32)33/h5-9,14,16-21,30,35-40H,4,10-13,15,22-29,47H2,1-3H3,(H,48,55)(H,49,56)(H,50,54)/t30-,35-,36+,37+,38-,39+,40-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001315
PNG
(18-(4-Amino-butyl)-6,15-dibenzyl-3-sec-butyl-16-me...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H59N7O6/c1-4-28(2)36-42(55)49-24-14-12-21-33(49)38(51)44-31(20-11-13-23-43)40(53)47(3)35(27-30-18-9-6-10-19-30)41(54)48-25-15-22-34(48)39(52)45-32(37(50)46-36)26-29-16-7-5-8-17-29/h5-10,16-19,28,31-36H,4,11-15,20-27,43H2,1-3H3,(H,44,51)(H,45,52)(H,46,50)/t28-,31-,32+,33+,34-,35+,36-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001328
PNG
(24-(1H-4-imidazolylmethyl)-16-(1H-3-indolylmethyl)...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H53N9O6/c1-24(2)18-30-38(53)49-16-8-6-13-34(49)40(55)48-15-7-5-12-32(48)37(52)46-31(20-26-22-41-23-43-26)39(54)47-17-9-14-33(47)36(51)44-29(35(50)45-30)19-25-21-42-28-11-4-3-10-27(25)28/h3-4,10-11,21-24,29-34,42H,5-9,12-20H2,1-2H3,(H,41,43)(H,44,51)(H,45,50)(H,46,52)/t29-,30+,31-,32+,33+,34-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001331
PNG
(25-allyl-16,24-dibenzyl-13-[1-methyl-(1S)-propyl]-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(CC=C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C44H58N6O6/c1-4-24-47-37(29-32-19-10-7-11-20-32)43(55)48-27-16-23-34(48)40(52)45-33(28-31-17-8-6-9-18-31)39(51)46-38(30(3)5-2)44(56)50-26-15-13-22-36(50)42(54)49-25-14-12-21-35(49)41(47)53/h4,6-11,17-20,30,33-38H,1,5,12-16,21-29H2,2-3H3,(H,45,52)(H,46,51)/t30-,33+,34-,35-,36+,37+,38-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001319
PNG
(16,24-dibenzyl-25-methyl-13-[1-methyl-(1S)-propyl]...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H56N6O6/c1-4-28(2)36-42(54)48-24-14-12-21-34(48)40(52)47-23-13-11-20-33(47)39(51)45(3)35(27-30-18-9-6-10-19-30)41(53)46-25-15-22-32(46)38(50)43-31(37(49)44-36)26-29-16-7-5-8-17-29/h5-10,16-19,28,31-36H,4,11-15,20-27H2,1-3H3,(H,43,50)(H,44,49)/t28-,31+,32-,33-,34+,35+,36-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001332
PNG
(6,15-Dibenzyl-3-sec-butyl-18-(1H-imidazol-4-ylmeth...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H54N8O6/c1-4-27(2)36-42(56)50-20-12-11-18-33(50)39(53)46-32(24-30-25-43-26-44-30)40(54)48(3)35(23-29-16-9-6-10-17-29)41(55)49-21-13-19-34(49)38(52)45-31(37(51)47-36)22-28-14-7-5-8-15-28/h5-10,14-17,25-27,31-36H,4,11-13,18-24H2,1-3H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t27-,31+,32-,33+,34-,35+,36-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50001303
PNG
(18-(3-Amino-propyl)-15-benzyl-3-sec-butyl-6-(1H-in...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C42H55N9O6/c1-4-26(2)36-42(57)51-34(18-11-21-45-51)39(54)46-31(17-10-20-43)40(55)49(3)35(23-27-13-6-5-7-14-27)41(56)50-22-12-19-33(50)38(53)47-32(37(52)48-36)24-28-25-44-30-16-9-8-15-29(28)30/h5-9,13-16,21,25-26,31-36,44H,4,10-12,17-20,22-24,43H2,1-3H3,(H,46,54)(H,47,53)(H,48,52)/t26-,31-,32+,33-,34+,35+,36-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001324
PNG
(16,24-dibenzyl-13-[1-methyl-(1S)-propyl]-(6aR,13S,...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C41H54N6O6/c1-3-27(2)35-41(53)47-23-13-11-20-34(47)40(52)46-22-12-10-19-32(46)38(50)43-31(26-29-17-8-5-9-18-29)39(51)45-24-14-21-33(45)37(49)42-30(36(48)44-35)25-28-15-6-4-7-16-28/h4-9,15-18,27,30-35H,3,10-14,19-26H2,1-2H3,(H,42,49)(H,43,50)(H,44,48)/t27-,30+,31+,32-,33-,34+,35-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50406694
PNG
(CHEMBL2112655)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C38H57N7O6/c1-3-25(2)32-38(51)45-22-12-9-18-31(45)37(50)44-21-11-8-17-29(44)34(47)40-27(16-7-10-20-39)36(49)43-23-13-19-30(43)35(48)41-28(33(46)42-32)24-26-14-5-4-6-15-26/h4-6,14-15,25,27-32H,3,7-13,16-24,39H2,1-2H3,(H,40,47)(H,41,48)(H,42,46)/t25-,27+,28+,29-,30-,31+,32-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50001317
PNG
(18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-6-(1H-ind...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C44H60N8O6/c1-4-28(2)38-44(58)52-23-13-11-20-35(52)40(54)47-33(19-10-12-22-45)42(56)50(3)37(25-29-15-6-5-7-16-29)43(57)51-24-14-21-36(51)41(55)48-34(39(53)49-38)26-30-27-46-32-18-9-8-17-31(30)32/h5-9,15-18,27-28,33-38,46H,4,10-14,19-26,45H2,1-3H3,(H,47,54)(H,48,55)(H,49,53)/t28-,33-,34+,35+,36-,37+,38-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat kidney medullary (AVP-V2a site)

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50001333
PNG
(18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-16-methyl...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C46H61N7O6/c1-4-30(2)40-46(59)53-26-13-11-23-37(53)42(55)48-35(22-10-12-25-47)44(57)51(3)39(28-31-16-6-5-7-17-31)45(58)52-27-15-24-38(52)43(56)49-36(41(54)50-40)29-33-20-14-19-32-18-8-9-21-34(32)33/h5-9,14,16-21,30,35-40H,4,10-13,15,22-29,47H2,1-3H3,(H,48,55)(H,49,56)(H,50,54)/t30-,35-,36+,37+,38-,39+,40-/m0/s1
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n/an/a 510n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001305
PNG
(15,23-dibenzyl-24-methyl-12-[1-methyl-(1S)-propyl]...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C41H54N6O6/c1-4-27(2)35-41(53)47-24-14-21-33(47)39(51)46-22-12-11-19-32(46)38(50)44(3)34(26-29-17-9-6-10-18-29)40(52)45-23-13-20-31(45)37(49)42-30(36(48)43-35)25-28-15-7-5-8-16-28/h5-10,15-18,27,30-35H,4,11-14,19-26H2,1-3H3,(H,42,49)(H,43,48)/t27-,30+,31-,32-,33+,34+,35-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001301
PNG
(14,22-dibenzyl-23-methyl-11-(1-methyl-(1S)-propyl)...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C43H58N6O6/c1-4-29(2)37-43(55)49-26-16-13-23-35(49)41(53)48-25-15-12-22-34(48)40(52)46(3)36(28-31-19-9-6-10-20-31)42(54)47-24-14-11-21-33(47)39(51)44-32(38(50)45-37)27-30-17-7-5-8-18-30/h5-10,17-20,29,32-37H,4,11-16,21-28H2,1-3H3,(H,44,51)(H,45,50)/t29-,32+,33-,34-,35+,36+,37-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001335
PNG
(15,23-dibenzyl-24-methyl-12-[1-methyl-(1S)-propyl]...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C41H54N6O6/c1-4-27(2)35-41(53)47-22-12-11-19-33(47)39(51)46-24-14-21-32(46)38(50)44(3)34(26-29-17-9-6-10-18-29)40(52)45-23-13-20-31(45)37(49)42-30(36(48)43-35)25-28-15-7-5-8-16-28/h5-10,15-18,27,30-35H,4,11-14,19-26H2,1-3H3,(H,42,49)(H,43,48)/t27-,30+,31-,32-,33+,34+,35-/m0/s1
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n/an/a 670n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50001311
PNG
(24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C43H56N8O6/c1-4-27(2)37-43(57)50-20-11-10-17-34(50)41(55)51-22-19-44-26-36(51)40(54)48(3)35(23-28-13-6-5-7-14-28)42(56)49-21-12-18-33(49)39(53)46-32(38(52)47-37)24-29-25-45-31-16-9-8-15-30(29)31/h5-9,13-16,25,27,32-37,44-45H,4,10-12,17-24,26H2,1-3H3,(H,46,53)(H,47,52)/t27-,32+,33-,34+,35+,36-,37-/m0/s1
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n/an/a 690n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50406697
PNG
(CHEMBL2112250)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-20-9-7-17-35(50)41(55)49-19-8-6-16-33(49)39(53)46-32(23-29-24-43-25-44-29)40(54)48-21-11-18-34(48)38(52)45-31(37(51)47-36)22-28-14-10-13-27-12-4-5-15-30(27)28/h4-5,10,12-15,24-26,31-36H,3,6-9,11,16-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1
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n/an/a 720n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50406697
PNG
(CHEMBL2112250)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-20-9-7-17-35(50)41(55)49-19-8-6-16-33(49)39(53)46-32(23-29-24-43-25-44-29)40(54)48-21-11-18-34(48)38(52)45-31(37(51)47-36)22-28-14-10-13-27-12-4-5-15-30(27)28/h4-5,10,12-15,24-26,31-36H,3,6-9,11,16-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50406696
PNG
(CHEMBL2112651)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C44H57N7O6/c1-4-28(2)38-44(57)51-23-13-11-20-36(51)42(55)50-22-12-10-19-35(50)41(54)48(3)37(25-29-15-6-5-7-16-29)43(56)49-24-14-21-34(49)40(53)46-33(39(52)47-38)26-30-27-45-32-18-9-8-17-31(30)32/h5-9,15-18,27-28,33-38,45H,4,10-14,19-26H2,1-3H3,(H,46,53)(H,47,52)/t28-,33+,34-,35-,36+,37+,38-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat kidney medullary (AVP-V2a site)

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50001307
PNG
(18-(3-Amino-propyl)-6,15-dibenzyl-3-sec-butyl-16-m...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C40H54N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)37(51)43-29(18-11-21-41)38(52)46(3)33(25-28-16-9-6-10-17-28)39(53)47-23-13-20-31(47)36(50)44-30(35(49)45-34)24-27-14-7-5-8-15-27/h5-10,14-17,22,26,29-34H,4,11-13,18-21,23-25,41H2,1-3H3,(H,43,51)(H,44,50)(H,45,49)/t26-,29-,30+,31-,32+,33+,34-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50406692
PNG
(CHEMBL2112249)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-19-9-7-14-35(50)41(55)49-18-8-6-13-33(49)39(53)46-32(23-30-24-43-25-44-30)40(54)48-20-10-15-34(48)38(52)45-31(37(51)47-36)22-27-16-17-28-11-4-5-12-29(28)21-27/h4-5,11-12,16-17,21,24-26,31-36H,3,6-10,13-15,18-20,22-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1
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n/an/a 810n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit AVP stimulation of adenylate cyclase activity in the rat kidney medulla (AVP-V2) receptor

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin receptor


(Rattus norvegicus (Rat))		BDBM50406692
PNG
(CHEMBL2112249)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-19-9-7-14-35(50)41(55)49-18-8-6-13-33(49)39(53)46-32(23-30-24-43-25-44-30)40(54)48-20-10-15-34(48)38(52)45-31(37(51)47-36)22-27-16-17-28-11-4-5-12-29(28)21-27/h4-5,11-12,16-17,21,24-26,31-36H,3,6-10,13-15,18-20,22-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1
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n/an/a 910n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50406693
PNG
(CHEMBL2112650)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C41H56N6O6/c1-6-27(2)35-41(53)47-24-16-14-22-33(47)40(52)46-23-15-13-21-32(46)38(50)45(5)34(26-30-19-11-8-12-20-30)39(51)44(4)28(3)36(48)42-31(37(49)43-35)25-29-17-9-7-10-18-29/h7-12,17-20,27-28,31-35H,6,13-16,21-26H2,1-5H3,(H,42,48)(H,43,49)/t27-,28-,31+,32-,33+,34+,35-/m0/s1
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n/an/a 930n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50406694
PNG
(CHEMBL2112655)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C38H57N7O6/c1-3-25(2)32-38(51)45-22-12-9-18-31(45)37(50)44-21-11-8-17-29(44)34(47)40-27(16-7-10-20-39)36(49)43-23-13-19-30(43)35(48)41-28(33(46)42-32)24-26-14-5-4-6-15-26/h4-6,14-15,25,27-32H,3,7-13,16-24,39H2,1-2H3,(H,40,47)(H,41,48)(H,42,46)/t25-,27+,28+,29-,30-,31+,32-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM81894
PNG
(Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-D-Pyz-L-Pip-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C39H50N10O6/c1-3-23(2)33-39(55)49-32(13-8-15-43-49)38(54)48-16-7-6-12-30(48)36(52)45-29(19-25-21-40-22-42-25)37(53)47-17-9-14-31(47)35(51)44-28(34(50)46-33)18-24-20-41-27-11-5-4-10-26(24)27/h4-5,10-11,15,20-23,28-33,41H,3,6-9,12-14,16-19H2,1-2H3,(H,40,42)(H,44,51)(H,45,52)(H,46,50)/t23-,28+,29+,30-,31-,32+,33-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50001323
PNG
(16,24-dibenzyl-25-methyl-13-[1-methyl-(1S)-propyl]...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C41H53N7O6/c1-4-27(2)35-41(54)48-33(20-13-22-42-48)39(52)47-23-12-11-19-32(47)38(51)45(3)34(26-29-17-9-6-10-18-29)40(53)46-24-14-21-31(46)37(50)43-30(36(49)44-35)25-28-15-7-5-8-16-28/h5-10,15-18,22,27,30-35H,4,11-14,19-21,23-26H2,1-3H3,(H,43,50)(H,44,49)/t27-,30+,31-,32-,33+,34+,35-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001320
PNG
(16-benzyl-24,25-dimethyl-13-[1-methyl-(1S)-propyl]...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C36H52N6O6/c1-5-23(2)30-36(48)42-20-12-10-17-29(42)35(47)41-19-11-9-16-28(41)34(46)39(4)24(3)33(45)40-21-13-18-27(40)32(44)37-26(31(43)38-30)22-25-14-7-6-8-15-25/h6-8,14-15,23-24,26-30H,5,9-13,16-22H2,1-4H3,(H,37,44)(H,38,43)/t23-,24+,26+,27-,28-,29+,30-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50001309
PNG
((cyclo-[L-propyl-D-phenylalanyl-L-isoleucyl-D-dehy...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29+,30-,31-,32+,33+,34-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50406698
PNG
(CHEMBL2112247)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C41H55N9O6/c1-4-25(2)35-41(56)50-18-10-8-15-34(50)40(55)49-17-9-7-14-32(49)38(53)45-30(21-27-22-42-24-43-27)39(54)48-19-11-16-33(48)37(52)44-29(36(51)46-35)20-26-23-47(3)31-13-6-5-12-28(26)31/h5-6,12-13,22-25,29-30,32-35H,4,7-11,14-21H2,1-3H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)/t25-,29+,30+,32-,33-,34+,35-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50001313
PNG
(18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-16-methyl...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C46H61N7O6/c1-4-30(2)40-46(59)53-25-13-11-20-37(53)42(55)48-35(19-10-12-24-47)44(57)51(3)39(29-31-15-6-5-7-16-31)45(58)52-26-14-21-38(52)43(56)49-36(41(54)50-40)28-32-22-23-33-17-8-9-18-34(33)27-32/h5-9,15-18,22-23,27,30,35-40H,4,10-14,19-21,24-26,28-29,47H2,1-3H3,(H,48,55)(H,49,56)(H,50,54)/t30-,35-,36+,37+,38-,39+,40-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50001310
PNG
(13-butyl-24-(1H-4-imidazolylmethyl)-16-(1H-3-indol...)
Show SMILES CCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H53N9O6/c1-2-3-12-29-38(53)49-18-9-7-15-34(49)40(55)48-17-8-6-14-32(48)37(52)46-31(21-26-23-41-24-43-26)39(54)47-19-10-16-33(47)36(51)45-30(35(50)44-29)20-25-22-42-28-13-5-4-11-27(25)28/h4-5,11,13,22-24,29-34,42H,2-3,6-10,12,14-21H2,1H3,(H,41,43)(H,44,50)(H,45,51)(H,46,52)/t29-,30+,31+,32-,33-,34+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50001315
PNG
(18-(4-Amino-butyl)-6,15-dibenzyl-3-sec-butyl-16-me...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H59N7O6/c1-4-28(2)36-42(55)49-24-14-12-21-33(49)38(51)44-31(20-11-13-23-43)40(53)47(3)35(27-30-18-9-6-10-19-30)41(54)48-25-15-22-34(48)39(52)45-32(37(50)46-36)26-29-16-7-5-8-17-29/h5-10,16-19,28,31-36H,4,11-15,20-27,43H2,1-3H3,(H,44,51)(H,45,52)(H,46,50)/t28-,31-,32+,33+,34-,35+,36-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001330
PNG
((6,15-Dibenzyl-3-sec-butyl-16-methyl-2,5,8,14,17,2...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H52N6O8/c1-4-25(2)34-40(54)46-20-12-11-18-30(46)37(51)42-29(24-33(47)48)38(52)44(3)32(23-27-16-9-6-10-17-27)39(53)45-21-13-19-31(45)36(50)41-28(35(49)43-34)22-26-14-7-5-8-15-26/h5-10,14-17,25,28-32,34H,4,11-13,18-24H2,1-3H3,(H,41,50)(H,42,51)(H,43,49)(H,47,48)/t25-,28+,29-,30+,31-,32+,34-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001325
PNG
(4,13-Dibenzyl-16-sec-butyl-3,18,19-trimethyl-3,6,1...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@@H](C)N(C)C1=O
Show InChI InChI=1S/C40H54N6O6/c1-6-26(2)34-40(52)43(4)27(3)37(49)46-22-14-13-20-32(46)38(50)44(5)33(25-29-18-11-8-12-19-29)39(51)45-23-15-21-31(45)36(48)41-30(35(47)42-34)24-28-16-9-7-10-17-28/h7-12,16-19,26-27,30-34H,6,13-15,20-25H2,1-5H3,(H,41,48)(H,42,47)/t26-,27+,30+,31-,32-,33+,34-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50001317
PNG
(18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-6-(1H-ind...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C44H60N8O6/c1-4-28(2)38-44(58)52-23-13-11-20-35(52)40(54)47-33(19-10-12-22-45)42(56)50(3)37(25-29-15-6-5-7-16-29)43(57)51-24-14-21-36(51)41(55)48-34(39(53)49-38)26-30-27-46-32-18-9-8-17-31(30)32/h5-9,15-18,27-28,33-38,46H,4,10-14,19-26,45H2,1-3H3,(H,47,54)(H,48,55)(H,49,53)/t28-,33-,34+,35+,36-,37+,38-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50001303
PNG
(18-(3-Amino-propyl)-15-benzyl-3-sec-butyl-6-(1H-in...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C42H55N9O6/c1-4-26(2)36-42(57)51-34(18-11-21-45-51)39(54)46-31(17-10-20-43)40(55)49(3)35(23-27-13-6-5-7-14-27)41(56)50-22-12-19-33(50)38(53)47-32(37(52)48-36)24-28-25-44-30-16-9-8-15-29(28)30/h5-9,13-16,21,25-26,31-36,44H,4,10-12,17-20,22-24,43H2,1-3H3,(H,46,54)(H,47,53)(H,48,52)/t26-,31-,32+,33-,34+,35+,36-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50001307
PNG
(18-(3-Amino-propyl)-6,15-dibenzyl-3-sec-butyl-16-m...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C40H54N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)37(51)43-29(18-11-21-41)38(52)46(3)33(25-28-16-9-6-10-17-28)39(53)47-23-13-20-31(47)36(50)44-30(35(49)45-34)24-27-14-7-5-8-15-27/h5-10,14-17,22,26,29-34H,4,11-13,18-21,23-25,41H2,1-3H3,(H,43,51)(H,44,50)(H,45,49)/t26-,29-,30+,31-,32+,33+,34-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50001310
PNG
(13-butyl-24-(1H-4-imidazolylmethyl)-16-(1H-3-indol...)
Show SMILES CCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H53N9O6/c1-2-3-12-29-38(53)49-18-9-7-15-34(49)40(55)48-17-8-6-14-32(48)37(52)46-31(21-26-23-41-24-43-26)39(54)47-19-10-16-33(47)36(51)45-30(35(50)44-29)20-25-22-42-28-13-5-4-11-27(25)28/h4-5,11,13,22-24,29-34,42H,2-3,6-10,12,14-21H2,1H3,(H,41,43)(H,44,50)(H,45,51)(H,46,52)/t29-,30+,31+,32-,33-,34+/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50001315
PNG
(18-(4-Amino-butyl)-6,15-dibenzyl-3-sec-butyl-16-me...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H59N7O6/c1-4-28(2)36-42(55)49-24-14-12-21-33(49)38(51)44-31(20-11-13-23-43)40(53)47(3)35(27-30-18-9-6-10-19-30)41(54)48-25-15-22-34(48)39(52)45-32(37(50)46-36)26-29-16-7-5-8-17-29/h5-10,16-19,28,31-36H,4,11-15,20-27,43H2,1-3H3,(H,44,51)(H,45,52)(H,46,50)/t28-,31-,32+,33+,34-,35+,36-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50001309
PNG
((cyclo-[L-propyl-D-phenylalanyl-L-isoleucyl-D-dehy...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29+,30-,31-,32+,33+,34-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50406692
PNG
(CHEMBL2112249)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-19-9-7-14-35(50)41(55)49-18-8-6-13-33(49)39(53)46-32(23-30-24-43-25-44-30)40(54)48-20-10-15-34(48)38(52)45-31(37(51)47-36)22-27-16-17-28-11-4-5-12-29(28)21-27/h4-5,11-12,16-17,21,24-26,31-36H,3,6-10,13-15,18-20,22-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001327
PNG
(6,15-Dibenzyl-3-sec-butyl-16,18,19-trimethyl-1,4,7...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H54N6O6/c1-6-26(2)34-40(52)46-22-14-13-20-32(46)38(50)43(4)27(3)37(49)44(5)33(25-29-18-11-8-12-19-29)39(51)45-23-15-21-31(45)36(48)41-30(35(47)42-34)24-28-16-9-7-10-17-28/h7-12,16-19,26-27,30-34H,6,13-15,20-25H2,1-5H3,(H,41,48)(H,42,47)/t26-,27-,30+,31-,32+,33-,34-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50001328
PNG
(24-(1H-4-imidazolylmethyl)-16-(1H-3-indolylmethyl)...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H53N9O6/c1-24(2)18-30-38(53)49-16-8-6-13-34(49)40(55)48-15-7-5-12-32(48)37(52)46-31(20-26-22-41-23-43-26)39(54)47-17-9-14-33(47)36(51)44-29(35(50)45-30)19-25-21-42-28-11-4-3-10-27(25)28/h3-4,10-11,21-24,29-34,42H,5-9,12-20H2,1-2H3,(H,41,43)(H,44,51)(H,45,50)(H,46,52)/t29-,30+,31-,32+,33+,34-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin receptor


(Rattus norvegicus (Rat))		BDBM50368435
PNG
(CHEMBL1790937)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H53N9O6/c1-3-24(2)34-40(55)49-17-9-7-14-33(49)39(54)48-16-8-6-13-31(48)37(52)45-30(20-26-22-41-23-43-26)38(53)47-18-10-15-32(47)36(51)44-29(35(50)46-34)19-25-21-42-28-12-5-4-11-27(25)28/h4-5,11-12,21-24,29-34,42H,3,6-10,13-20H2,1-2H3,(H,41,43)(H,44,51)(H,45,52)(H,46,50)/t24-,29-,30-,31+,32+,33-,34+/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat liver V1a receptor was determined using [3H]arginine vasopressin as radioligand

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50001319
PNG
(16,24-dibenzyl-25-methyl-13-[1-methyl-(1S)-propyl]...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H56N6O6/c1-4-28(2)36-42(54)48-24-14-12-21-34(48)40(52)47-23-13-11-20-33(47)39(51)45(3)35(27-30-18-9-6-10-19-30)41(53)46-25-15-22-32(46)38(50)43-31(37(49)44-36)26-29-16-7-5-8-17-29/h5-10,16-19,28,31-36H,4,11-15,20-27H2,1-3H3,(H,43,50)(H,44,49)/t28-,31+,32-,33-,34+,35+,36-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50001302
PNG
(14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C40H52N6O6/c1-4-26(2)34-40(52)46-23-13-20-32(46)38(50)45-22-12-19-31(45)37(49)43(3)33(25-28-16-9-6-10-17-28)39(51)44-21-11-18-30(44)36(48)41-29(35(47)42-34)24-27-14-7-5-8-15-27/h5-10,14-17,26,29-34H,4,11-13,18-25H2,1-3H3,(H,41,48)(H,42,47)/t26-,29+,30-,31-,32+,33+,34-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001302
PNG
(14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C40H52N6O6/c1-4-26(2)34-40(52)46-23-13-20-32(46)38(50)45-22-12-19-31(45)37(49)43(3)33(25-28-16-9-6-10-17-28)39(51)44-21-11-18-30(44)36(48)41-29(35(47)42-34)24-27-14-7-5-8-15-27/h5-10,14-17,26,29-34H,4,11-13,18-25H2,1-3H3,(H,41,48)(H,42,47)/t26-,29+,30-,31-,32+,33+,34-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50001323
PNG
(16,24-dibenzyl-25-methyl-13-[1-methyl-(1S)-propyl]...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C41H53N7O6/c1-4-27(2)35-41(54)48-33(20-13-22-42-48)39(52)47-23-12-11-19-32(47)38(51)45(3)34(26-29-17-9-6-10-18-29)40(53)46-24-14-21-31(46)37(50)43-30(36(49)44-35)25-28-15-7-5-8-16-28/h5-10,15-18,22,27,30-35H,4,11-14,19-21,23-26H2,1-3H3,(H,43,50)(H,44,49)/t27-,30+,31-,32-,33+,34+,35-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50406698
PNG
(CHEMBL2112247)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C41H55N9O6/c1-4-25(2)35-41(56)50-18-10-8-15-34(50)40(55)49-17-9-7-14-32(49)38(53)45-30(21-27-22-42-24-43-27)39(54)48-19-11-16-33(48)37(52)44-29(36(51)46-35)20-26-23-47(3)31-13-6-5-12-28(26)31/h5-6,12-13,22-25,29-30,32-35H,4,7-11,14-21H2,1-3H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)/t25-,29+,30+,32-,33-,34+,35-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50001319
PNG
(16,24-dibenzyl-25-methyl-13-[1-methyl-(1S)-propyl]...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H56N6O6/c1-4-28(2)36-42(54)48-24-14-12-21-34(48)40(52)47-23-13-11-20-33(47)39(51)45(3)35(27-30-18-9-6-10-19-30)41(53)46-25-15-22-32(46)38(50)43-31(37(49)44-36)26-29-16-7-5-8-17-29/h5-10,16-19,28,31-36H,4,11-15,20-27H2,1-3H3,(H,43,50)(H,44,49)/t28-,31+,32-,33-,34+,35+,36-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM81894
PNG
(Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-D-Pyz-L-Pip-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O
Show InChI InChI=1S/C39H50N10O6/c1-3-23(2)33-39(55)49-32(13-8-15-43-49)38(54)48-16-7-6-12-30(48)36(52)45-29(19-25-21-40-22-42-25)37(53)47-17-9-14-31(47)35(51)44-28(34(50)46-33)18-24-20-41-27-11-5-4-10-26(24)27/h4-5,10-11,15,20-23,28-33,41H,3,6-9,12-14,16-19H2,1-2H3,(H,40,42)(H,44,51)(H,45,52)(H,46,50)/t23-,28+,29+,30-,31-,32+,33-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50368438
PNG
(CHEMBL1790938)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C41H55N9O6/c1-4-25(2)35-41(56)50-18-10-8-15-33(50)39(54)49-17-9-7-14-32(49)38(53)47(3)34(21-27-23-42-24-44-27)40(55)48-19-11-16-31(48)37(52)45-30(36(51)46-35)20-26-22-43-29-13-6-5-12-28(26)29/h5-6,12-13,22-25,30-35,43H,4,7-11,14-21H2,1-3H3,(H,42,44)(H,45,52)(H,46,51)/t25-,30-,31+,32+,33-,34-,35+/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50368435
PNG
(CHEMBL1790937)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H53N9O6/c1-3-24(2)34-40(55)49-17-9-7-14-33(49)39(54)48-16-8-6-13-31(48)37(52)45-30(20-26-22-41-23-43-26)38(53)47-18-10-15-32(47)36(51)44-29(35(50)46-34)19-25-21-42-28-12-5-4-11-27(25)28/h4-5,11-12,21-24,29-34,42H,3,6-10,13-20H2,1-2H3,(H,41,43)(H,44,51)(H,45,52)(H,46,50)/t24-,29-,30-,31+,32+,33-,34+/m1/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50001324
PNG
(16,24-dibenzyl-13-[1-methyl-(1S)-propyl]-(6aR,13S,...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C41H54N6O6/c1-3-27(2)35-41(53)47-23-13-11-20-34(47)40(52)46-22-12-10-19-32(46)38(50)43-31(26-29-17-8-5-9-18-29)39(51)45-24-14-21-33(45)37(49)42-30(36(48)44-35)25-28-15-6-4-7-16-28/h4-9,15-18,27,30-35H,3,10-14,19-26H2,1-2H3,(H,42,49)(H,43,50)(H,44,48)/t27-,30+,31+,32-,33-,34+,35-/m0/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50406691
PNG
(CHEMBL2112654)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C38H52N8O6/c1-3-24(2)32-38(52)46-18-10-8-15-31(46)37(51)45-17-9-7-14-29(45)35(49)42-28(21-26-22-39-23-40-26)36(50)44-19-11-16-30(44)34(48)41-27(33(47)43-32)20-25-12-5-4-6-13-25/h4-6,12-13,22-24,27-32H,3,7-11,14-21H2,1-2H3,(H,39,40)(H,41,48)(H,42,49)(H,43,47)/t24-,27+,28+,29-,30-,31+,32-/m0/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50368435
PNG
(CHEMBL1790937)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H53N9O6/c1-3-24(2)34-40(55)49-17-9-7-14-33(49)39(54)48-16-8-6-13-31(48)37(52)45-30(20-26-22-41-23-43-26)38(53)47-18-10-15-32(47)36(51)44-29(35(50)46-34)19-25-21-42-28-12-5-4-11-27(25)28/h4-5,11-12,21-24,29-34,42H,3,6-10,13-20H2,1-2H3,(H,41,43)(H,44,51)(H,45,52)(H,46,50)/t24-,29-,30-,31+,32+,33-,34+/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50406694
PNG
(CHEMBL2112655)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C38H57N7O6/c1-3-25(2)32-38(51)45-22-12-9-18-31(45)37(50)44-21-11-8-17-29(44)34(47)40-27(16-7-10-20-39)36(49)43-23-13-19-30(43)35(48)41-28(33(46)42-32)24-26-14-5-4-6-15-26/h4-6,14-15,25,27-32H,3,7-13,16-24,39H2,1-2H3,(H,40,47)(H,41,48)(H,42,46)/t25-,27+,28+,29-,30-,31+,32-/m0/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50001328
PNG
(24-(1H-4-imidazolylmethyl)-16-(1H-3-indolylmethyl)...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H53N9O6/c1-24(2)18-30-38(53)49-16-8-6-13-34(49)40(55)48-15-7-5-12-32(48)37(52)46-31(20-26-22-41-23-43-26)39(54)47-17-9-14-33(47)36(51)44-29(35(50)45-30)19-25-21-42-28-11-4-3-10-27(25)28/h3-4,10-11,21-24,29-34,42H,5-9,12-20H2,1-2H3,(H,41,43)(H,44,51)(H,45,50)(H,46,52)/t29-,30+,31-,32+,33+,34-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50001324
PNG
(16,24-dibenzyl-13-[1-methyl-(1S)-propyl]-(6aR,13S,...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C41H54N6O6/c1-3-27(2)35-41(53)47-23-13-11-20-34(47)40(52)46-22-12-10-19-32(46)38(50)43-31(26-29-17-8-5-9-18-29)39(51)45-24-14-21-33(45)37(49)42-30(36(48)44-35)25-28-15-6-4-7-16-28/h4-9,15-18,27,30-35H,3,10-14,19-26H2,1-2H3,(H,42,49)(H,43,50)(H,44,48)/t27-,30+,31+,32-,33-,34+,35-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50406696
PNG
(CHEMBL2112651)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C44H57N7O6/c1-4-28(2)38-44(57)51-23-13-11-20-36(51)42(55)50-22-12-10-19-35(50)41(54)48(3)37(25-29-15-6-5-7-16-29)43(56)49-24-14-21-34(49)40(53)46-33(39(52)47-38)26-30-27-45-32-18-9-8-17-31(30)32/h5-9,15-18,27-28,33-38,45H,4,10-14,19-26H2,1-3H3,(H,46,53)(H,47,52)/t28-,33+,34-,35-,36+,37+,38-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50368438
PNG
(CHEMBL1790938)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C41H55N9O6/c1-4-25(2)35-41(56)50-18-10-8-15-33(50)39(54)49-17-9-7-14-32(49)38(53)47(3)34(21-27-23-42-24-44-27)40(55)48-19-11-16-31(48)37(52)45-30(36(51)46-35)20-26-22-43-29-13-6-5-12-28(26)29/h5-6,12-13,22-25,30-35,43H,4,7-11,14-21H2,1-3H3,(H,42,44)(H,45,52)(H,46,51)/t25-,30-,31+,32+,33-,34-,35+/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50406691
PNG
(CHEMBL2112654)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C38H52N8O6/c1-3-24(2)32-38(52)46-18-10-8-15-31(46)37(51)45-17-9-7-14-29(45)35(49)42-28(21-26-22-39-23-40-26)36(50)44-19-11-16-30(44)34(48)41-27(33(47)43-32)20-25-12-5-4-6-13-25/h4-6,12-13,22-24,27-32H,3,7-11,14-21H2,1-2H3,(H,39,40)(H,41,48)(H,42,49)(H,43,47)/t24-,27+,28+,29-,30-,31+,32-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50001334
PNG
(16,24-dibenzyl-14,25-dimethyl-13-[1-methyl-(1S)-pr...)
Show SMILES CC[C@H](C)[C@@H]1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C43H58N6O6/c1-5-29(2)37-43(55)49-25-15-13-22-35(49)41(53)48-24-14-12-21-34(48)40(52)45(3)36(28-31-19-10-7-11-20-31)42(54)47-26-16-23-33(47)38(50)44-32(39(51)46(37)4)27-30-17-8-6-9-18-30/h6-11,17-20,29,32-37H,5,12-16,21-28H2,1-4H3,(H,44,50)/t29-,32+,33-,34-,35+,36+,37-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50406695
PNG
(CHEMBL2112656)
Show SMILES C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C39H50N6O6/c1-26-36(48)44-21-11-10-19-32(44)38(50)45-22-12-9-18-31(45)37(49)42(2)33(25-28-16-7-4-8-17-28)39(51)43-23-13-20-30(43)35(47)41-29(34(46)40-26)24-27-14-5-3-6-15-27/h3-8,14-17,26,29-33H,9-13,18-25H2,1-2H3,(H,40,46)(H,41,47)/t26-,29+,30-,31-,32+,33-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50001311
PNG
(24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C43H56N8O6/c1-4-27(2)37-43(57)50-20-11-10-17-34(50)41(55)51-22-19-44-26-36(51)40(54)48(3)35(23-28-13-6-5-7-14-28)42(56)49-21-12-18-33(49)39(53)46-32(38(52)47-37)24-29-25-45-31-16-9-8-15-30(29)31/h5-9,13-16,25,27,32-37,44-45H,4,10-12,17-24,26H2,1-3H3,(H,46,53)(H,47,52)/t27-,32+,33-,34+,35+,36-,37-/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50001302
PNG
(14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C40H52N6O6/c1-4-26(2)34-40(52)46-23-13-20-32(46)38(50)45-22-12-19-31(45)37(49)43(3)33(25-28-16-9-6-10-17-28)39(51)44-21-11-18-30(44)36(48)41-29(35(47)42-34)24-27-14-7-5-8-15-27/h5-10,14-17,26,29-34H,4,11-13,18-25H2,1-3H3,(H,41,48)(H,42,47)/t26-,29+,30-,31-,32+,33+,34-/m0/s1
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n/an/a 8.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.

J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%