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Compile Data Set for Download or QSAR

Found 247 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a/V1b receptor'   
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
Vasopressin V1a/V1b receptor


(RAT)
BDBM50013633
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]2CCNCN2C1=O
Show InChI InChI=1S/C40H56N8O6/c1-4-26(2)34-40(54)48-25-42-21-19-32(48)37(51)43-29(17-11-20-41)38(52)46(3)33(24-28-15-9-6-10-16-28)39(53)47-22-12-18-31(47)36(50)44-30(35(49)45-34)23-27-13-7-5-8-14-27/h5-10,13-16,26,29-34,42H,4,11-12,17-25,41H2,1-3H3,(H,43,51)(H,44,50)(H,45,49)/t26-,29+,30-,31+,32-,33-,34-/m1/s1
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240n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor


J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b 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 |c:44,53|
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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730n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor


J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50013635
PNG
(24-(1H-5-imidazolylmethyl)-13-[1-methyl-(1S)-propy...)
Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@]1([H])CCCCN1C(=O)[C@]1([H])CCCCN1C(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccc3ccccc3c1)NC2=O)[C@@H](C)CC
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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760n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor


J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50013637
PNG
(16,24-dibenzyl-25-methyl-13-[1-methyl-(1S)-propyl]...)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@]1([H])CCCCN1C(=O)[C@@]1([H])CCCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccccc1)NC2=O)[C@@H](C)CC
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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890n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor


J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50013630
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]2CCNCN2C1=O
Show InChI InChI=1S/C41H55N7O6/c1-4-27(2)35-41(54)48-26-42-21-20-33(48)39(52)47-22-12-11-18-32(47)38(51)45(3)34(25-29-16-9-6-10-17-29)40(53)46-23-13-19-31(46)37(50)43-30(36(49)44-35)24-28-14-7-5-8-15-28/h5-10,14-17,27,30-35,42H,4,11-13,18-26H2,1-3H3,(H,43,50)(H,44,49)/t27-,30+,31-,32-,33+,34+,35+/m0/s1
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970n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-arginine vasopressin binding to rat kidney medulla Vasopressin V2 receptor


J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50013640
PNG
(18-(3-Amino-propyl)-15-benzyl-3-sec-butyl-6-(1H-in...)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](CCCN)NC(=O)[C@@]1([H])CCCCN1C(=O)[C@]([H])(NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC2=O)[C@H](C)CC
Show InChI InChI=1S/C43H58N8O6/c1-4-27(2)37-43(57)51-22-11-10-19-34(51)39(53)46-32(18-12-21-44)41(55)49(3)36(24-28-14-6-5-7-15-28)42(56)50-23-13-20-35(50)40(54)47-33(38(52)48-37)25-29-26-45-31-17-9-8-16-30(29)31/h5-9,14-17,26-27,32-37,45H,4,10-13,18-25,44H2,1-3H3,(H,46,53)(H,47,54)(H,48,52)/t27-,32+,33-,34-,35+,36-,37-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor


J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50013628
PNG
(24-(1H-5-imidazolylmethyl)-16-(1H-3-indolylmethyl)...)
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]2CCNCN2C1=O
Show InChI InChI=1S/C39H52N10O6/c1-3-23(2)33-39(55)49-22-40-14-13-32(49)38(54)48-15-7-6-11-30(48)36(52)45-29(18-25-20-41-21-43-25)37(53)47-16-8-12-31(47)35(51)44-28(34(50)46-33)17-24-19-42-27-10-5-4-9-26(24)27/h4-5,9-10,19-21,23,28-33,40,42H,3,6-8,11-18,22H2,1-2H3,(H,41,43)(H,44,51)(H,45,52)(H,46,50)/t23-,28-,29-,30+,31+,32-,33-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor


J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50013632
PNG
(16,24-dibenzyl-13-[1-methyl-(1S)-propyl]perhydrodi...)
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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1.60E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxytocin binding to rat uterine Oxytocin receptor


J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50013634
PNG
(24-(1H-5-imidazolylmethyl)-16-(1H-3-indolylmethyl)...)
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-/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor


J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50013638
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]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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3.50E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor


J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b 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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9.30E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor


J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50013636
PNG
(22-benzyl-13-(1H-3-indolylmethyl)-23-methyl-10-[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)[N@]2CCN(CC2)C(=O)[C@H]2CCCCN2C1=O |wU:22.28,41.45,2.2,wD:49.59,8.8,29.32,4.3,(9.24,2.73,;8.98,1.22,;10.17,.22,;11.61,.75,;9.89,-1.3,;8.35,-1.3,;6.91,-1.82,;6.13,-.49,;5.72,-2.82,;4.54,-1.82,;4.82,-.3,;6.21,.36,;5.98,1.9,;4.47,2.16,;3.65,3.47,;2.12,3.42,;1.39,2.05,;2.21,.75,;3.74,.81,;4.97,-4.15,;4.69,-5.67,;3.15,-5.67,;4.97,-7.19,;3.45,-7.5,;3.28,-9.04,;4.69,-9.65,;5.72,-8.52,;6.91,-9.5,;6.13,-10.83,;8.35,-10.04,;8.09,-11.54,;6.63,-12.07,;5.47,-11.07,;4.02,-11.61,;3.74,-13.13,;4.93,-14.11,;6.37,-13.59,;9.89,-10.04,;10.17,-11.54,;11.42,-10.22,;11.74,-11.59,;12.31,-9.04,;11.72,-7.61,;12.66,-6.37,;14.18,-6.56,;14.77,-7.98,;13.85,-9.22,;13.55,-5.67,;15.09,-5.67,;13.29,-4.15,;14.83,-4.15,;15.61,-2.82,;14.83,-1.49,;13.29,-1.49,;12.52,-2.82,;11.33,-1.82,;12.11,-.49,)|
Show InChI InChI=1S/C43H56N8O6/c1-4-28(2)37-42(56)51-19-11-10-17-35(51)40(54)48-21-23-49(24-22-48)43(57)47(3)36(25-29-13-6-5-7-14-29)41(55)50-20-12-18-34(50)39(53)45-33(38(52)46-37)26-30-27-44-32-16-9-8-15-31(30)32/h5-9,13-16,27-28,33-37,44H,4,10-12,17-26H2,1-3H3,(H,45,53)(H,46,52)/t28-,33-,34+,35-,36-,37-/m1/s1
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9.50E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor


J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50013641
PNG
(16-benzyl-24,25-dimethyl-13-[1-methyl-(1S)-propyl]...)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](C)N(C)C(=O)[C@]1([H])CCCCN1C(=O)[C@@]1([H])CCCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccccc1)NC2=O)[C@@H](C)CC
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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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor


J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(Homo sapiens (Human))
BDBM50180054
PNG
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)
Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to vasopressin 1 receptor


J Med Chem 49: 125-34 (2006)


Article DOI: 10.1021/jm050725j
BindingDB Entry DOI: 10.7270/Q2R49QBD
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50013631
PNG
(24-benzyl-16-(4-ethoxybenzyl)-25-methyl-13-[1-meth...)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@]1([H])CCCCN1C(=O)[C@@]1([H])CCCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(OCC)cc1)NC2=O)[C@@H](C)CC
Show InChI InChI=1S/C44H60N6O7/c1-5-29(3)38-44(56)50-25-13-11-18-36(50)42(54)49-24-12-10-17-35(49)41(53)47(4)37(28-30-15-8-7-9-16-30)43(55)48-26-14-19-34(48)40(52)45-33(39(51)46-38)27-31-20-22-32(23-21-31)57-6-2/h7-9,15-16,20-23,29,33-38H,5-6,10-14,17-19,24-28H2,1-4H3,(H,45,52)(H,46,51)/t29-,33+,34-,35-,36+,37+,38-/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor


J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50013639
PNG
(16,24-dibenzyl-13,25-dimethylperhydrodipyrido[1,2-...)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@]1([H])CCCCN1C(=O)[C@@]1([H])CCCCN1C(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC2=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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>3.00E+4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor


J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(Homo sapiens (Human))
BDBM50137948
PNG
(Biphenyl-2-carboxylic acid [2-[3-(4-methyl-[1,4]di...)
Show SMILES CN1CCCN(CCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1
Show InChI InChI=1S/C37H42N4O3S/c1-39-19-9-20-40(24-23-39)21-10-25-44-34-27-29(37(43)41-22-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)
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n/an/a<1n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50137948
PNG
(Biphenyl-2-carboxylic acid [2-[3-(4-methyl-[1,4]di...)
Show SMILES CN1CCCN(CCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1
Show InChI InChI=1S/C37H42N4O3S/c1-39-19-9-20-40(24-23-39)21-10-25-44-34-27-29(37(43)41-22-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)
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n/an/a 2n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50137945
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-piperaz...)
Show SMILES CN1CCN(CCCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1
Show InChI InChI=1S/C37H42N4O3S/c1-39-21-23-40(24-22-39)19-9-10-25-44-34-27-29(37(43)41-20-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)
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n/an/a 3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(Homo sapiens (Human))
BDBM50137940
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-dimethylamino-...)
Show SMILES CN(C)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C39H44N4O4S/c1-41(2)30-19-23-42(24-20-30)37(44)16-10-25-47-35-27-29(39(46)43-22-9-8-15-36-34(43)21-26-48-36)17-18-33(35)40-38(45)32-14-7-6-13-31(32)28-11-4-3-5-12-28/h3-7,11-14,17-18,21,26-27,30H,8-10,15-16,19-20,22-25H2,1-2H3,(H,40,45)
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n/an/a 3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50137953
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-diethylamino-p...)
Show SMILES CCN(CC)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C41H48N4O4S/c1-3-43(4-2)32-21-25-44(26-22-32)39(46)18-12-27-49-37-29-31(41(48)45-24-11-10-17-38-36(45)23-28-50-38)19-20-35(37)42-40(47)34-16-9-8-15-33(34)30-13-6-5-7-14-30/h5-9,13-16,19-20,23,28-29,32H,3-4,10-12,17-18,21-22,24-27H2,1-2H3,(H,42,47)
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n/an/a 4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(Homo sapiens (Human))
BDBM50137953
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-diethylamino-p...)
Show SMILES CCN(CC)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C41H48N4O4S/c1-3-43(4-2)32-21-25-44(26-22-32)39(46)18-12-27-49-37-29-31(41(48)45-24-11-10-17-38-36(45)23-28-50-38)19-20-35(37)42-40(47)34-16-9-8-15-33(34)30-13-6-5-7-14-30/h5-9,13-16,19-20,23,28-29,32H,3-4,10-12,17-18,21-22,24-27H2,1-2H3,(H,42,47)
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n/an/a 4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(Homo sapiens (Human))
BDBM50137945
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-piperaz...)
Show SMILES CN1CCN(CCCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1
Show InChI InChI=1S/C37H42N4O3S/c1-39-21-23-40(24-22-39)19-9-10-25-44-34-27-29(37(43)41-20-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)
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n/an/a 5n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(Homo sapiens (Human))
BDBM50137951
PNG
(Biphenyl-2-carboxylic acid [2-{4-[(2-dimethylamino...)
Show SMILES CN(C)CCN(C)CCCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H44N4O3S/c1-39(2)23-24-40(3)21-11-12-25-44-34-27-29(37(43)41-22-10-9-17-35-33(41)20-26-45-35)18-19-32(34)38-36(42)31-16-8-7-15-30(31)28-13-5-4-6-14-28/h4-8,13-16,18-20,26-27H,9-12,17,21-25H2,1-3H3,(H,38,42)
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n/an/a 5n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50137940
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-dimethylamino-...)
Show SMILES CN(C)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C39H44N4O4S/c1-41(2)30-19-23-42(24-20-30)37(44)16-10-25-47-35-27-29(39(46)43-22-9-8-15-36-34(43)21-26-48-36)17-18-33(35)40-38(45)32-14-7-6-13-31(32)28-11-4-3-5-12-28/h3-7,11-14,17-18,21,26-27,30H,8-10,15-16,19-20,22-25H2,1-2H3,(H,40,45)
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n/an/a 6n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50291329
PNG
(8-arginine vasopressin trisulphide | CHEMBL267405)
Show SMILES N[C@@H]1CSSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S3/c47-27-22-74-76-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28+,29-,30-,31+,32+,33+,34-/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the TYR(Me)2 arginine-vasopressin as radioligand at 0.3 nM in A7r5 cells


Bioorg Med Chem Lett 7: 719-724 (1997)


Article DOI: 10.1016/S0960-894X(97)00050-4
BindingDB Entry DOI: 10.7270/Q2QC03HW
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(Homo sapiens (Human))
BDBM50137942
PNG
(Biphenyl-2-carboxylic acid [2-(4-[1,4']bipiperidin...)
Show SMILES O=C(CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C42H48N4O4S/c47-40(45-26-20-33(21-27-45)44-23-8-2-9-24-44)17-11-28-50-38-30-32(42(49)46-25-10-7-16-39-37(46)22-29-51-39)18-19-36(38)43-41(48)35-15-6-5-14-34(35)31-12-3-1-4-13-31/h1,3-6,12-15,18-19,22,29-30,33H,2,7-11,16-17,20-21,23-28H2,(H,43,48)
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n/an/a 10n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(Homo sapiens (Human))
BDBM50137956
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H40N4O4S/c1-39-20-22-40(23-21-39)35(42)15-9-24-45-33-26-28(37(44)41-19-8-7-14-34-32(41)18-25-46-34)16-17-31(33)38-36(43)30-13-6-5-12-29(30)27-10-3-2-4-11-27/h2-6,10-13,16-18,25-26H,7-9,14-15,19-24H2,1H3,(H,38,43)
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n/an/a 10n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the TYR(Me)2 arginine-vasopressin as radioligand at 0.3 nM in A7r5 cells


Bioorg Med Chem Lett 7: 719-724 (1997)


Article DOI: 10.1016/S0960-894X(97)00050-4
BindingDB Entry DOI: 10.7270/Q2QC03HW
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50137946
PNG
(Biphenyl-2-carboxylic acid [2-[2-(4-dimethylamino-...)
Show SMILES CN(C)C1CCN(CC1)C(=O)COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H40N4O4S/c1-39(2)28-17-21-40(22-18-28)35(42)25-45-33-24-27(37(44)41-20-9-8-14-34-32(41)19-23-46-34)15-16-31(33)38-36(43)30-13-7-6-12-29(30)26-10-4-3-5-11-26/h3-7,10-13,15-16,19,23-24,28H,8-9,14,17-18,20-22,25H2,1-2H3,(H,38,43)
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n/an/a 20n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50137956
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H40N4O4S/c1-39-20-22-40(23-21-39)35(42)15-9-24-45-33-26-28(37(44)41-19-8-7-14-34-32(41)18-25-46-34)16-17-31(33)38-36(43)30-13-6-5-12-29(30)27-10-3-2-4-11-27/h2-6,10-13,16-18,25-26H,7-9,14-15,19-24H2,1H3,(H,38,43)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50137949
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-[1,4]di...)
Show SMILES CN1CCCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C38H42N4O4S/c1-40-20-10-21-41(24-23-40)36(43)16-9-25-46-34-27-29(38(45)42-22-8-7-15-35-33(42)19-26-47-35)17-18-32(34)39-37(44)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,17-19,26-27H,7-10,15-16,20-25H2,1H3,(H,39,44)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50137951
PNG
(Biphenyl-2-carboxylic acid [2-{4-[(2-dimethylamino...)
Show SMILES CN(C)CCN(C)CCCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H44N4O3S/c1-39(2)23-24-40(3)21-11-12-25-44-34-27-29(37(43)41-22-10-9-17-35-33(41)20-26-45-35)18-19-32(34)38-36(42)31-16-8-7-15-30(31)28-13-5-4-6-14-28/h4-8,13-16,18-20,26-27H,9-12,17,21-25H2,1-3H3,(H,38,42)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50137942
PNG
(Biphenyl-2-carboxylic acid [2-(4-[1,4']bipiperidin...)
Show SMILES O=C(CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C42H48N4O4S/c47-40(45-26-20-33(21-27-45)44-23-8-2-9-24-44)17-11-28-50-38-30-32(42(49)46-25-10-7-16-39-37(46)22-29-51-39)18-19-36(38)43-41(48)35-15-6-5-14-34(35)31-12-3-1-4-13-31/h1,3-6,12-15,18-19,22,29-30,33H,2,7-11,16-17,20-21,23-28H2,(H,43,48)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(Homo sapiens (Human))
BDBM50137946
PNG
(Biphenyl-2-carboxylic acid [2-[2-(4-dimethylamino-...)
Show SMILES CN(C)C1CCN(CC1)C(=O)COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H40N4O4S/c1-39(2)28-17-21-40(22-18-28)35(42)25-45-33-24-27(37(44)41-20-9-8-14-34-32(41)19-23-46-34)15-16-31(33)38-36(43)30-13-7-6-12-29(30)26-10-4-3-5-11-26/h3-7,10-13,15-16,19,23-24,28H,8-9,14,17-18,20-22,25H2,1-2H3,(H,38,43)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(Homo sapiens (Human))
BDBM50137949
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-[1,4]di...)
Show SMILES CN1CCCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C38H42N4O4S/c1-40-20-10-21-41(24-23-40)36(43)16-9-25-46-34-27-29(38(45)42-22-8-7-15-35-33(42)19-26-47-35)17-18-32(34)39-37(44)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,17-19,26-27H,7-10,15-16,20-25H2,1H3,(H,39,44)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(Homo sapiens (Human))
BDBM50204026
PNG
(CHEMBL369150)
Show SMILES Oc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C28H24N2O3S/c31-25-18-20(28(33)30-16-7-6-12-26-24(30)15-17-34-26)13-14-23(25)29-27(32)22-11-5-4-10-21(22)19-8-2-1-3-9-19/h1-5,8-11,13-15,17-18,31H,6-7,12,16H2,(H,29,32)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50043204
PNG
(1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-...)
Show SMILES CC(C)[C@H](NC(=O)Cc1cnc[nH]1)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:37|
Show InChI InChI=1S/C34H47N5O5S/c1-23(2)29(38-28(40)17-26-19-35-22-37-26)30(41)36-20-34(42)18-25-10-12-33(34,31(25,3)4)21-45(43,44)39-15-13-32(14-16-39)11-9-24-7-5-6-8-27(24)32/h5-9,11,19,22-23,25,29,42H,10,12-18,20-21H2,1-4H3,(H,35,37)(H,36,41)(H,38,40)/t25-,29+,33+,34+/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue


J Med Chem 36: 3993-4005 (1994)


BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50043080
PNG
(3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'...)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CCS(C)(=O)=O)[nH]c1=O |TLB:27:25:1:5.4|
Show InChI InChI=1S/C29H41N3O6S2/c1-27(2)21-9-12-29(27,24(18-21)32-25(33)23(30-26(32)34)10-17-39(3,35)36)19-40(37,38)31-15-13-28(14-16-31)11-8-20-6-4-5-7-22(20)28/h4-7,21,24,33H,8-19H2,1-3H3,(H,30,34)/t21-,24+,29-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue


J Med Chem 36: 3993-4005 (1994)


BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50043141
PNG
(5-(3-amino-1H-1,2,4-triazol-5-ylaminomethyl)-3-[7,...)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CNc2nnc(N)[nH]2)[nH]c1=O |TLB:27:25:1:5.4|
Show InChI InChI=1S/C29H40N8O4S/c1-27(2)19-8-10-29(27,22(15-19)37-23(38)21(32-26(37)39)16-31-25-33-24(30)34-35-25)17-42(40,41)36-13-11-28(12-14-36)9-7-18-5-3-4-6-20(18)28/h3-6,19,22,38H,7-17H2,1-2H3,(H,32,39)(H4,30,31,33,34,35)/t19-,22+,29-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue


J Med Chem 36: 3993-4005 (1994)


BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50043114
PNG
(3-{1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1...)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CCC(N)=O)[nH]c1=O |TLB:27:25:1:5.4|
Show InChI InChI=1S/C29H40N4O5S/c1-27(2)20-10-12-29(27,23(17-20)33-25(35)22(31-26(33)36)7-8-24(30)34)18-39(37,38)32-15-13-28(14-16-32)11-9-19-5-3-4-6-21(19)28/h3-6,20,23,35H,7-18H2,1-2H3,(H2,30,34)(H,31,36)/t20-,23+,29-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue


J Med Chem 36: 3993-4005 (1994)


BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50137943
PNG
(Biphenyl-2-carboxylic acid (4-{8-[2-(4-methyl-pipe...)
Show SMILES CN1CCN(CCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc23)CC1
Show InChI InChI=1S/C34H37N5O2S/c1-36-19-21-37(22-20-36)23-24-38-17-7-18-39(31-16-25-42-34(31)38)33(41)27-12-14-28(15-13-27)35-32(40)30-11-6-5-10-29(30)26-8-3-2-4-9-26/h2-6,8-16,25H,7,17-24H2,1H3,(H,35,40)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50137941
PNG
(Biphenyl-2-carboxylic acid {4-[8-(2-pyrrolidin-1-y...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCN2CCCC2)c2sccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C33H34N4O2S/c38-31(29-12-5-4-11-28(29)25-9-2-1-3-10-25)34-27-15-13-26(14-16-27)32(39)37-21-8-20-36(33-30(37)17-24-40-33)23-22-35-18-6-7-19-35/h1-5,9-17,24H,6-8,18-23H2,(H,34,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50204026
PNG
(CHEMBL369150)
Show SMILES Oc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C28H24N2O3S/c31-25-18-20(28(33)30-16-7-6-12-26-24(30)15-17-34-26)13-14-23(25)29-27(32)22-11-5-4-10-21(22)19-8-2-1-3-9-19/h1-5,8-11,13-15,17-18,31H,6-7,12,16H2,(H,29,32)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50043180
PNG
(1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-...)
Show SMILES CC(C)[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:28|
Show InChI InChI=1S/C29H43N3O4S/c1-20(2)24(30)25(33)31-18-29(34)17-22-10-12-28(29,26(22,3)4)19-37(35,36)32-15-13-27(14-16-32)11-9-21-7-5-6-8-23(21)27/h5-9,11,20,22,24,34H,10,12-19,30H2,1-4H3,(H,31,33)/t22-,24+,28+,29+/m1/s1
MMDB

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n/an/a 290n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue


J Med Chem 36: 3993-4005 (1994)


BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50043090
PNG
(1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-...)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)[C@@H](N)CCC(N)=O)C2 |c:19|
Show InChI InChI=1S/C29H42N4O5S/c1-26(2)21-10-12-28(26,29(36,17-21)18-32-25(35)23(30)7-8-24(31)34)19-39(37,38)33-15-13-27(14-16-33)11-9-20-5-3-4-6-22(20)27/h3-6,9,11,21,23,36H,7-8,10,12-19,30H2,1-2H3,(H2,31,34)(H,32,35)/t21-,23+,28+,29+/m1/s1
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n/an/a>300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue


J Med Chem 36: 3993-4005 (1994)


BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50043055
PNG
(2-{3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1...)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CC(O)=O)c1=O |TLB:27:25:1:5.4|
Show InChI InChI=1S/C28H37N3O6S/c1-26(2)20-8-10-28(26,22(15-20)31-23(32)16-29(25(31)35)17-24(33)34)18-38(36,37)30-13-11-27(12-14-30)9-7-19-5-3-4-6-21(19)27/h3-6,16,20,22,32H,7-15,17-18H2,1-2H3,(H,33,34)/t20-,22+,28-/m1/s1
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n/an/a>300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue


J Med Chem 36: 3993-4005 (1994)


BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50043155
PNG
(1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...)
Show SMILES Cn1cncc1CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
Show InChI InChI=1S/C34H48N6O5S/c1-32(2)24-11-13-34(32,21-46(44,45)40-16-14-33(15-17-40)12-10-23-6-4-5-7-26(23)33)28(18-24)38-31(43)27(8-9-29(35)41)37-30(42)19-25-20-36-22-39(25)3/h4-7,20,22,24,27-28H,8-19,21H2,1-3H3,(H2,35,41)(H,37,42)(H,38,43)/t24-,27+,28+,34-/m1/s1
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n/an/a>300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue


J Med Chem 36: 3993-4005 (1994)


BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50043106
PNG
(CHEMBL335886 | methyl 3-[2-hydroxy-7,7-dimethyl-1-...)
Show SMILES COC(=O)[N+]12CCC(CC1)C(C2)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |wU:22.25,16.18,wD:16.17,19.21,c:37,(14.38,-20.7,;15.88,-20.3,;16.28,-18.82,;17.78,-18.43,;15.2,-17.72,;13.85,-16.95,;14.95,-15.85,;13.61,-15.08,;15.22,-15.06,;15.98,-16.4,;12.91,-16.37,;13.66,-17.71,;11.36,-16.37,;10.58,-17.7,;10.6,-15.02,;9.06,-15.02,;8.29,-13.69,;7.19,-14.79,;9.82,-13.66,;10.58,-12.33,;9.78,-11.02,;8.25,-11.04,;7.51,-12.37,;6.18,-11.6,;6.18,-10.05,;4.64,-10.05,;7.72,-10.05,;6.2,-8.51,;4.86,-7.72,;4.87,-6.2,;6.22,-5.43,;7.54,-6.2,;7.54,-7.75,;7.12,-4.17,;6.2,-2.93,;4.73,-3.42,;3.4,-2.65,;2.07,-3.42,;2.07,-4.96,;3.4,-5.74,;4.75,-4.96,;8.82,-11.57,;9.57,-10.22,;9.62,-12.89,)|
Show InChI InChI=1S/C34H47N3O6S/c1-31(2)26-9-13-33(31,23-44(41,42)36-16-14-32(15-17-36)12-8-25-6-4-5-7-28(25)32)34(40,20-26)22-35-29(38)27-21-37(30(39)43-3)18-10-24(27)11-19-37/h4-8,12,24,26-27,40H,9-11,13-23H2,1-3H3/p+1/t24?,26-,27?,33+,34+,37?/m1/s1
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n/an/a>300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue


J Med Chem 36: 3993-4005 (1994)


BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50043075
PNG
(1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4...)
Show SMILES CN(C)CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
Show InChI InChI=1S/C29H44N4O4S/c1-27(2)22-10-12-29(27,24(17-22)31-25(34)18-30-26(35)19-32(3)4)20-38(36,37)33-15-13-28(14-16-33)11-9-21-7-5-6-8-23(21)28/h5-8,22,24H,9-20H2,1-4H3,(H,30,35)(H,31,34)/t22-,24+,29-/m1/s1
MMDB

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n/an/a>300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue


J Med Chem 36: 3993-4005 (1994)


BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
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