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Compile Data Set for Download or QSAR

Found 446 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1 receptor' AND taxid = 10116   
Target
(Institution)
LigandTarget
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 V1 receptor


(Rattus norvegicus)
BDBM50108501
PNG
(2-Methyl-furan-3-carboxylic acid (4-{5-[2-(4-dimet...)
Show SMILES CN(C)C1CCN(CC1)C(=O)\C=C1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccoc2C)cc1
Show InChI InChI=1S/C32H34F2N4O4/c1-21-25(14-19-42-21)30(40)35-23-10-8-22(9-11-23)31(41)38-18-15-32(33,34)27(26-6-4-5-7-28(26)38)20-29(39)37-16-12-24(13-17-37)36(2)3/h4-11,14,19-20,24H,12-13,15-18H2,1-3H3,(H,35,40)/b27-20+
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0.100n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards vasopressin (V1A) receptor in rat liver membrane using [3H]AVP as radioligand


Bioorg Med Chem Lett 12: 229-32 (2001)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50038601
PNG
(4-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)28-19-36-13-20-40(21-14-36)80-81-71)50(34-39-17-24-42(85)25-18-39)60(95)79-47(33-37-8-3-2-4-9-37)57(92)74-44(26-27-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(11-6-30-73-63(69)70)61(96)83-31-7-12-49(83)59(94)75-43(10-5-29-72-62(67)68)55(90)77-46(54(66)89)32-38-15-22-41(84)23-16-38/h2-4,8-9,13-18,20-25,43-50,84-85H,5-7,10-12,19,26-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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0.110n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant determined from vasopressin induced inositol phosphates accumulation performed on WRK1 cell line of V1a receptor subty...


J Med Chem 37: 1841-9 (1994)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50038602
PNG
(4-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-T...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C62H82N20O13/c1-81(52(87)33-38-13-19-39(20-14-38)79-80-70)49(32-37-17-23-41(84)24-18-37)59(94)78-46(31-35-8-3-2-4-9-35)56(91)73-43(25-26-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(11-6-28-72-62(68)69)60(95)82-29-7-12-48(82)58(93)74-42(10-5-27-71-61(66)67)54(89)76-45(53(65)88)30-36-15-21-40(83)22-16-36/h2-4,8-9,13-24,42-49,83-84H,5-7,10-12,25-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Inhibition constant for V1a receptor of rat liver membrane


J Med Chem 37: 1841-9 (1994)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50038603
PNG
(3-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1cccc(c1)N=[N+]=[N-]
Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)27-20-37-11-5-12-40(31-37)80-81-71)50(34-39-18-23-42(85)24-19-39)60(95)79-47(33-36-9-3-2-4-10-36)57(92)74-44(25-26-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(14-7-29-73-63(69)70)61(96)83-30-8-15-49(83)59(94)75-43(13-6-28-72-62(67)68)55(90)77-46(54(66)89)32-38-16-21-41(84)22-17-38/h2-5,9-12,16-19,21-24,31,43-50,84-85H,6-8,13-15,20,25-30,32-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant determined from vasopressin induced inositol phosphates accumulation performed on WRK1 cell line of V1a receptor subty...


J Med Chem 37: 1841-9 (1994)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50108498
PNG
(Biphenyl-2-carboxylic acid (4-{5-[2-(4-dimethylami...)
Show SMILES CN(C)C1CCN(CC1)C(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-
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0.160n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Vasopressin V1a receptor, performed using [3H]-AVP on rat liver


J Med Chem 45: 2589-98 (2002)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50038603
PNG
(3-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1cccc(c1)N=[N+]=[N-]
Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)27-20-37-11-5-12-40(31-37)80-81-71)50(34-39-18-23-42(85)24-19-39)60(95)79-47(33-36-9-3-2-4-10-36)57(92)74-44(25-26-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(14-7-29-73-63(69)70)61(96)83-30-8-15-49(83)59(94)75-43(13-6-28-72-62(67)68)55(90)77-46(54(66)89)32-38-16-21-41(84)22-17-38/h2-5,9-12,16-19,21-24,31,43-50,84-85H,6-8,13-15,20,25-30,32-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Inhibition constant for V1a receptor of rat liver membrane


J Med Chem 37: 1841-9 (1994)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50166224
PNG
(CHEMBL410567 | Vasopressin Analogue)
Show SMILES COc1ccc(C[C@@H](NC(=O)CCCc2ccc(cc2)N=[N+]=[N-])C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1
Show InChI InChI=1S/C64H85IN20O13/c1-98-41-23-18-38(19-24-41)33-47(76-54(89)15-5-11-36-16-21-40(22-17-36)83-84-73)58(93)81-48(32-37-9-3-2-4-10-37)59(94)77-44(25-27-52(66)87)57(92)82-49(35-53(67)88)60(95)79-45(13-7-29-75-64(71)72)62(97)85-30-8-14-50(85)61(96)78-43(12-6-28-74-63(69)70)56(91)80-46(55(68)90)34-39-20-26-51(86)42(65)31-39/h2-4,9-10,16-24,26,31,43-50,86H,5-8,11-15,25,27-30,32-35H2,1H3,(H2,66,87)(H2,67,88)(H2,68,90)(H,76,89)(H,77,94)(H,78,96)(H,79,95)(H,80,91)(H,81,93)(H,82,92)(H4,69,70,74)(H4,71,72,75)/t43-,44-,45-,46-,47+,48-,49-,50+/m0/s1
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0.180n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against rat vasopressin V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50038599
PNG
(4-N3-C6H4CH2CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCCc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C64H86N20O13/c1-83(54(89)15-5-11-37-16-22-41(23-17-37)81-82-72)51(35-40-20-26-43(86)27-21-40)61(96)80-48(34-38-9-3-2-4-10-38)58(93)75-45(28-29-52(65)87)57(92)79-49(36-53(66)88)59(94)77-46(13-7-31-74-64(70)71)62(97)84-32-8-14-50(84)60(95)76-44(12-6-30-73-63(68)69)56(91)78-47(55(67)90)33-39-18-24-42(85)25-19-39/h2-4,9-10,16-27,44-51,85-86H,5-8,11-15,28-36H2,1H3,(H2,65,87)(H2,66,88)(H2,67,90)(H,75,93)(H,76,95)(H,77,94)(H,78,91)(H,79,92)(H,80,96)(H4,68,69,73)(H4,70,71,74)/t44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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0.180n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Inhibition constant for V1a receptor of rat liver membrane


J Med Chem 37: 1841-9 (1994)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50038602
PNG
(4-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-T...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C62H82N20O13/c1-81(52(87)33-38-13-19-39(20-14-38)79-80-70)49(32-37-17-23-41(84)24-18-37)59(94)78-46(31-35-8-3-2-4-9-35)56(91)73-43(25-26-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(11-6-28-72-62(68)69)60(95)82-29-7-12-48(82)58(93)74-42(10-5-27-71-61(66)67)54(89)76-45(53(65)88)30-36-15-21-40(83)22-16-36/h2-4,8-9,13-24,42-49,83-84H,5-7,10-12,25-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant determined from vasopressin induced inositol phosphates accumulation performed on WRK1 cell line of V1a receptor subty...


J Med Chem 37: 1841-9 (1994)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50038601
PNG
(4-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)28-19-36-13-20-40(21-14-36)80-81-71)50(34-39-17-24-42(85)25-18-39)60(95)79-47(33-37-8-3-2-4-9-37)57(92)74-44(26-27-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(11-6-30-73-63(69)70)61(96)83-31-7-12-49(83)59(94)75-43(10-5-29-72-62(67)68)55(90)77-46(54(66)89)32-38-15-22-41(84)23-16-38/h2-4,8-9,13-18,20-25,43-50,84-85H,5-7,10-12,19,26-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Inhibition constant for V1a receptor of rat liver membrane


J Med Chem 37: 1841-9 (1994)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50038604
PNG
(3-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-T...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1cccc(c1)N=[N+]=[N-]
Show InChI InChI=1S/C62H82N20O13/c1-81(52(87)33-38-11-5-12-39(29-38)79-80-70)49(32-37-18-22-41(84)23-19-37)59(94)78-46(31-35-9-3-2-4-10-35)56(91)73-43(24-25-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(14-7-27-72-62(68)69)60(95)82-28-8-15-48(82)58(93)74-42(13-6-26-71-61(66)67)54(89)76-45(53(65)88)30-36-16-20-40(83)21-17-36/h2-5,9-12,16-23,29,42-49,83-84H,6-8,13-15,24-28,30-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant determined from vasopressin induced inositol phosphates accumulation performed on WRK1 cell line of V1a receptor subty...


J Med Chem 37: 1841-9 (1994)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50038604
PNG
(3-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-T...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1cccc(c1)N=[N+]=[N-]
Show InChI InChI=1S/C62H82N20O13/c1-81(52(87)33-38-11-5-12-39(29-38)79-80-70)49(32-37-18-22-41(84)23-19-37)59(94)78-46(31-35-9-3-2-4-10-35)56(91)73-43(24-25-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(14-7-27-72-62(68)69)60(95)82-28-8-15-48(82)58(93)74-42(13-6-26-71-61(66)67)54(89)76-45(53(65)88)30-36-16-20-40(83)21-17-36/h2-5,9-12,16-23,29,42-49,83-84H,6-8,13-15,24-28,30-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Inhibition constant for V1a receptor of rat liver membrane


J Med Chem 37: 1841-9 (1994)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50038599
PNG
(4-N3-C6H4CH2CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCCc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C64H86N20O13/c1-83(54(89)15-5-11-37-16-22-41(23-17-37)81-82-72)51(35-40-20-26-43(86)27-21-40)61(96)80-48(34-38-9-3-2-4-10-38)58(93)75-45(28-29-52(65)87)57(92)79-49(36-53(66)88)59(94)77-46(13-7-31-74-64(70)71)62(97)84-32-8-14-50(84)60(95)76-44(12-6-30-73-63(68)69)56(91)78-47(55(67)90)33-39-18-24-42(85)25-19-39/h2-4,9-10,16-27,44-51,85-86H,5-8,11-15,28-36H2,1H3,(H2,65,87)(H2,66,88)(H2,67,90)(H,75,93)(H,76,95)(H,77,94)(H,78,91)(H,79,92)(H,80,96)(H4,68,69,73)(H4,70,71,74)/t44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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0.460n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant determined from vasopressin induced inositol phosphates accumulation performed on WRK1 cell line of V1a receptor subty...


J Med Chem 37: 1841-9 (1994)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50108498
PNG
(Biphenyl-2-carboxylic acid (4-{5-[2-(4-dimethylami...)
Show SMILES CN(C)C1CCN(CC1)C(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-
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0.620n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards vasopressin (V1A) receptor in rat liver membrane using [3H]AVP as radioligand


Bioorg Med Chem Lett 12: 229-32 (2001)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50064711
PNG
(1-(1-{2-Methoxy-4-[1-(2-methyl-1-oxy-pyridin-3-ylm...)
Show SMILES COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C33H38N4O6/c1-23-24(7-5-15-36(23)40)21-34-16-13-27(14-17-34)43-28-9-10-29(31(20-28)41-2)32(38)35-18-11-26(12-19-35)37-30-8-4-3-6-25(30)22-42-33(37)39/h3-10,15,20,26-27H,11-14,16-19,21-22H2,1-2H3
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0.760n/an/an/an/an/an/an/an/a



DrugMolDesign

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from vasopressin V1a receptor in rat liver tissue


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50038604
PNG
(3-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-T...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1cccc(c1)N=[N+]=[N-]
Show InChI InChI=1S/C62H82N20O13/c1-81(52(87)33-38-11-5-12-39(29-38)79-80-70)49(32-37-18-22-41(84)23-19-37)59(94)78-46(31-35-9-3-2-4-10-35)56(91)73-43(24-25-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(14-7-27-72-62(68)69)60(95)82-28-8-15-48(82)58(93)74-42(13-6-26-71-61(66)67)54(89)76-45(53(65)88)30-36-16-20-40(83)21-17-36/h2-5,9-12,16-23,29,42-49,83-84H,6-8,13-15,24-28,30-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Inhibition constant for V1a receptor of rat liver membrane


J Med Chem 37: 1841-9 (1994)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50418929
PNG
(CHEMBL1807272)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCCC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H37ClFN3O2/c1-34(2)25-15-13-24(14-16-25)32-27(35)26(19-20-5-9-22(30)10-6-20)33-28(36)29(17-3-4-18-29)21-7-11-23(31)12-8-21/h5-12,24-26H,3-4,13-19H2,1-2H3,(H,32,35)(H,33,36)/t24-,25-,26-/m1/s1
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1.38n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50406623
PNG
(CHEMBL2115369)
Show SMILES COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1
Show InChI InChI=1S/C58H79N11O12S2/c1-34(2)48-55(78)65-44(31-47(60)71)52(75)66-45(56(79)69-27-11-15-46(69)54(77)62-40(14-7-10-26-59)50(73)63-41(49(61)72)28-36-16-20-38(70)21-17-36)32-82-83-33-58(24-8-9-25-58)57(80)67-43(30-37-18-22-39(81-3)23-19-37)51(74)64-42(53(76)68-48)29-35-12-5-4-6-13-35/h4-6,12-13,16-23,34,40-46,48,70H,7-11,14-15,24-33,59H2,1-3H3,(H2,60,71)(H2,61,72)(H,62,77)(H,63,73)(H,64,74)(H,65,78)(H,66,75)(H,67,80)(H,68,76)/t40-,41-,42-,43-,44-,45-,46-,48-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of the 3 nM VP stimulation of phospholipase-C in cultured WRK cells was used as a V1-mediated assay (Vasopressin V1 receptor)


J Med Chem 35: 151-7 (1992)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50114031
PNG
((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(c2cc(Cl)ccc12)c1ccccc1Cl
Show InChI InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1
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1.43n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Vasopressin V1a receptor, performed using [3H]-AVP on rat liver


J Med Chem 45: 2589-98 (2002)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50418907
PNG
(CHEMBL1807267)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33Cl2N3O2/c1-32(2)23-13-11-22(12-14-23)30-25(33)24(17-18-3-7-20(28)8-4-18)31-26(34)27(15-16-27)19-5-9-21(29)10-6-19/h3-10,22-24H,11-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,23-,24-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50406622
PNG
(CHEMBL2115364)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)C(C)(C)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C55H74N14O11S2/c1-31(2)45-52(78)63-41(28-44(57)71)49(75)64-42(53(79)69-24-10-14-43(69)51(77)60-37(13-8-9-23-56)47(73)61-38(46(58)72)25-34-17-21-36(70)22-18-34)29-81-82-30-55(3,4)54(80)65-40(27-33-15-19-35(20-16-33)67-68-59)48(74)62-39(50(76)66-45)26-32-11-6-5-7-12-32/h5-7,11-12,15-22,31,37-43,45,70H,8-10,13-14,23-30,56H2,1-4H3,(H2,57,71)(H2,58,72)(H,60,77)(H,61,73)(H,62,74)(H,63,78)(H,64,75)(H,65,80)(H,66,76)/t37-,38-,39-,40-,41-,42-,43-,45-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of the 3 nM VP stimulation of phospholipase-C in cultured WRK cells was used as a V1-mediated assay


J Med Chem 35: 151-7 (1992)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50077032
PNG
(1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-t...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C30H34F3N3O6/c1-20(37)34-14-10-24(11-15-34)42-25-7-6-21(27(17-25)41-19-30(31,32)33)16-28(38)35-12-8-23(9-13-35)36-26-5-3-2-4-22(26)18-40-29(36)39/h2-7,17,23-24H,8-16,18-19H2,1H3
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat liver Vasopressin V1a receptor by using functional assay


Bioorg Med Chem Lett 9: 1311-6 (1999)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50418909
PNG
(CHEMBL1807270)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H35Cl2N3O2/c1-33(2)24-14-12-23(13-15-24)31-26(34)25(18-19-4-8-21(29)9-5-19)32-27(35)28(16-3-17-28)20-6-10-22(30)11-7-20/h4-11,23-25H,3,12-18H2,1-2H3,(H,31,34)(H,32,35)/t23-,24-,25-/m1/s1
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2.09n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50418905
PNG
(CHEMBL1807273)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H33ClFN3O2/c1-32(2)23-13-11-22(12-14-23)30-25(33)24(17-18-3-7-20(28)8-4-18)31-26(34)27(15-16-27)19-5-9-21(29)10-6-19/h3-10,22-24H,11-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,23-,24-/m1/s1
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2.29n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50108493
PNG
(2-Methyl-furan-3-carboxylic acid [4-({2-[4-([1,4']...)
Show SMILES CN(C(=O)c1ccc(NC(=O)c2ccoc2C)cc1)c1ccc(C)cc1OCc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C39H44N4O5/c1-27-7-16-35(41(3)38(45)30-12-14-32(15-13-30)40-37(44)34-19-24-47-28(34)2)36(25-27)48-26-29-8-10-31(11-9-29)39(46)43-22-17-33(18-23-43)42-20-5-4-6-21-42/h7-16,19,24-25,33H,4-6,17-18,20-23,26H2,1-3H3,(H,40,44)
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2.90n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards vasopressin (V1A) receptor in rat liver membrane using [3H]AVP as radioligand


Bioorg Med Chem Lett 12: 229-32 (2001)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50029649
PNG
(1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzo...)
Show SMILES COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



DrugMolDesign

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from vasopressin V1a receptor in rat liver tissue


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50029649
PNG
(1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzo...)
Show SMILES COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in rat liver


J Med Chem 38: 4634-6 (1995)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50418365
PNG
(CHEMBL1774024)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2(CC2)c2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1
Show InChI InChI=1S/C26H29Cl2N3O2/c27-18-5-1-16(2-6-18)13-23(24(32)30-22-14-20-9-10-21(15-22)29-20)31-25(33)26(11-12-26)17-3-7-19(28)8-4-17/h1-8,20-23,29H,9-15H2,(H,30,32)(H,31,33)/t20-,21+,22+,23-/m1/s1
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4.17n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50418910
PNG
(CHEMBL1807271)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H35ClFN3O2/c1-33(2)24-14-12-23(13-15-24)31-26(34)25(18-19-4-8-21(29)9-5-19)32-27(35)28(16-3-17-28)20-6-10-22(30)11-7-20/h4-11,23-25H,3,12-18H2,1-2H3,(H,31,34)(H,32,35)/t23-,24-,25-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50108494
PNG
(2-Methyl-furan-3-carboxylic acid (4-{[2-(6-[1,4']b...)
Show SMILES CN(C(=O)c1ccc(NC(=O)c2ccoc2C)cc1)c1ccc(C)cc1OCCCCCC(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C37H48N4O5/c1-27-11-16-33(39(3)37(44)29-12-14-30(15-13-29)38-36(43)32-19-25-45-28(32)2)34(26-27)46-24-9-4-6-10-35(42)41-22-17-31(18-23-41)40-20-7-5-8-21-40/h11-16,19,25-26,31H,4-10,17-18,20-24H2,1-3H3,(H,38,43)
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5n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards vasopressin (V1A) receptor in rat liver membrane using [3H]AVP as radioligand


Bioorg Med Chem Lett 12: 229-32 (2001)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50029646
PNG
(1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-benzoyl]-pipe...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C27H31N3O5/c1-19(31)28-16-12-24(13-17-28)35-23-8-6-20(7-9-23)26(32)29-14-10-22(11-15-29)30-25-5-3-2-4-21(25)18-34-27(30)33/h2-9,22,24H,10-18H2,1H3
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5.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in rat liver


J Med Chem 38: 4634-6 (1995)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50108495
PNG
(1N-methyl-1N-{4-methyl-2-[6-(4-methylhexahydro-1-p...)
Show SMILES CCc1nccn1-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N(C)c1ccc(C)cc1OCCCCCC(=O)N1CCN(C)CC1
Show InChI InChI=1S/C38H46N6O4/c1-5-35-39-20-21-44(35)32-12-9-8-11-31(32)37(46)40-30-17-15-29(16-18-30)38(47)42(4)33-19-14-28(2)27-34(33)48-26-10-6-7-13-36(45)43-24-22-41(3)23-25-43/h8-9,11-12,14-21,27H,5-7,10,13,22-26H2,1-4H3,(H,40,46)
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5.70n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards vasopressin (V1A) receptor in rat liver membrane using [3H]AVP as radioligand


Bioorg Med Chem Lett 12: 229-32 (2001)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50108499
PNG
(1N-methyl-1N-{4-methyl-2-[4-(4-methylhexahydro-1-p...)
Show SMILES CCc1nccn1-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N(C)c1ccc(C)cc1OCc1ccc(cc1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C40H42N6O4/c1-5-37-41-20-21-46(37)34-9-7-6-8-33(34)38(47)42-32-17-15-30(16-18-32)39(48)44(4)35-19-10-28(2)26-36(35)50-27-29-11-13-31(14-12-29)40(49)45-24-22-43(3)23-25-45/h6-21,26H,5,22-25,27H2,1-4H3,(H,42,47)
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7.60n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards vasopressin (V1A) receptor in rat liver membrane using [3H]AVP as radioligand


Bioorg Med Chem Lett 12: 229-32 (2001)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50418906
PNG
(CHEMBL1807266)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H31Cl2N3O2/c1-30(2)22-13-11-21(12-14-22)28-25(32)23(15-17-3-7-19(26)8-4-17)29-24(31)16-18-5-9-20(27)10-6-18/h3-10,21-23H,11-16H2,1-2H3,(H,28,32)(H,29,31)/t21-,22-,23-/m1/s1
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8.13n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50108500
PNG
(2-Methyl-furan-3-carboxylic acid [4-(methyl-{4-met...)
Show SMILES CN(C(=O)c1ccc(NC(=O)c2ccoc2C)cc1)c1ccc(C)cc1OCCCCCC(=O)N1CCN(C)CC1
Show InChI InChI=1S/C32H40N4O5/c1-23-9-14-28(29(22-23)41-20-7-5-6-8-30(37)36-18-16-34(3)17-19-36)35(4)32(39)25-10-12-26(13-11-25)33-31(38)27-15-21-40-24(27)2/h9-15,21-22H,5-8,16-20H2,1-4H3,(H,33,38)
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8.80n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards vasopressin (V1A) receptor in rat liver membrane using [3H]AVP as radioligand


Bioorg Med Chem Lett 12: 229-32 (2001)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50114034
PNG
(1'-{6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCCCCCN1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C37H47N5O/c1-30-38-39-37(33-20-18-32(19-21-33)31-14-6-4-7-15-31)42(30)35-16-8-9-17-36(35)43-29-13-3-2-10-24-40-27-22-34(23-28-40)41-25-11-5-12-26-41/h4,6-9,14-21,34H,2-3,5,10-13,22-29H2,1H3
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9.69n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Vasopressin V1a receptor, performed using [3H]-AVP on rat liver


J Med Chem 45: 2589-98 (2002)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50205291
PNG
((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Show SMILES NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
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10.8n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from vasopressin V1a receptor in rat liver membrane


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50418928
PNG
(CHEMBL1807259)
Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C25H32Cl2N4O2/c1-30-13-15-31(16-14-30)12-2-11-28-25(33)23(17-19-3-7-21(26)8-4-19)29-24(32)18-20-5-9-22(27)10-6-20/h3-10,23H,2,11-18H2,1H3,(H,28,33)(H,29,32)/t23-/m1/s1
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12.0n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50205305
PNG
(CHEMBL375324 | d[Arg4]AVP)
Show SMILES NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H68N16O11S2/c48-36(65)23-33-43(72)62-34(45(74)63-19-6-11-35(63)44(73)59-29(9-4-17-54-46(50)51)39(68)56-24-37(49)66)25-76-75-20-16-38(67)57-31(22-27-12-14-28(64)15-13-27)41(70)60-32(21-26-7-2-1-3-8-26)42(71)58-30(40(69)61-33)10-5-18-55-47(52)53/h1-3,7-8,12-15,29-35,64H,4-6,9-11,16-25H2,(H2,48,65)(H2,49,66)(H,56,68)(H,57,67)(H,58,71)(H,59,73)(H,60,70)(H,61,69)(H,62,72)(H4,50,51,54)(H4,52,53,55)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
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12.9n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from vasopressin V1a receptor in rat liver membrane


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50418908
PNG
(CHEMBL1807268)
Show SMILES COc1ccc(C[C@@H](NC(=O)C2(CC2)c2ccc(Cl)cc2)C(=O)N[C@H]2CC[C@@H](CC2)N(C)C)cc1
Show InChI InChI=1S/C28H36ClN3O3/c1-32(2)23-12-10-22(11-13-23)30-26(33)25(18-19-4-14-24(35-3)15-5-19)31-27(34)28(16-17-28)20-6-8-21(29)9-7-20/h4-9,14-15,22-23,25H,10-13,16-18H2,1-3H3,(H,30,33)(H,31,34)/t22-,23-,25-/m1/s1
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13.8n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50029643
PNG
(1-(1-{4-[2-(1-Acetyl-piperidin-2-yl)-ethoxy]-benzo...)
Show SMILES CC(=O)N1CCCCC1CCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C29H35N3O5/c1-21(33)31-16-5-4-7-24(31)15-19-36-26-11-9-22(10-12-26)28(34)30-17-13-25(14-18-30)32-27-8-3-2-6-23(27)20-37-29(32)35/h2-3,6,8-12,24-25H,4-5,7,13-20H2,1H3
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15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in rat liver


J Med Chem 38: 4634-6 (1995)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50114028
PNG
(1-{6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4...)
Show SMILES CN1CCN(CCCCCCOc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C32H39N5O/c1-26-33-34-32(29-18-16-28(17-19-29)27-12-6-5-7-13-27)37(26)30-14-8-9-15-31(30)38-25-11-4-3-10-20-36-23-21-35(2)22-24-36/h5-9,12-19H,3-4,10-11,20-25H2,1-2H3
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17.3n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Vasopressin V1a receptor, performed using [3H]-AVP on rat liver


J Med Chem 45: 2589-98 (2002)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50038605
PNG
(3-N3-C6H4CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)c1cccc(c1)N=[N+]=[N-]
Show InChI InChI=1S/C61H80N20O13/c1-80(58(93)37-11-5-12-38(32-37)78-79-69)48(31-36-18-22-40(83)23-19-36)57(92)77-45(30-34-9-3-2-4-10-34)54(89)72-42(24-25-49(62)84)53(88)76-46(33-50(63)85)55(90)74-43(14-7-27-71-61(67)68)59(94)81-28-8-15-47(81)56(91)73-41(13-6-26-70-60(65)66)52(87)75-44(51(64)86)29-35-16-20-39(82)21-17-35/h2-5,9-12,16-23,32,41-48,82-83H,6-8,13-15,24-31,33H2,1H3,(H2,62,84)(H2,63,85)(H2,64,86)(H,72,89)(H,73,91)(H,74,90)(H,75,87)(H,76,88)(H,77,92)(H4,65,66,70)(H4,67,68,71)/t41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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17.8n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Inhibition constant for V1a receptor of rat liver membrane


J Med Chem 37: 1841-9 (1994)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50038600
PNG
(4-N3-C6H4CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)c1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C61H80N20O13/c1-80(58(93)37-17-19-38(20-18-37)78-79-69)48(32-36-15-23-40(83)24-16-36)57(92)77-45(31-34-8-3-2-4-9-34)54(89)72-42(25-26-49(62)84)53(88)76-46(33-50(63)85)55(90)74-43(11-6-28-71-61(67)68)59(94)81-29-7-12-47(81)56(91)73-41(10-5-27-70-60(65)66)52(87)75-44(51(64)86)30-35-13-21-39(82)22-14-35/h2-4,8-9,13-24,41-48,82-83H,5-7,10-12,25-33H2,1H3,(H2,62,84)(H2,63,85)(H2,64,86)(H,72,89)(H,73,91)(H,74,90)(H,75,87)(H,76,88)(H,77,92)(H4,65,66,70)(H4,67,68,71)/t41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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20n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Inhibition constant for V1a receptor of rat liver membrane


J Med Chem 37: 1841-9 (1994)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50418366
PNG
(CHEMBL1774023)
Show SMILES Clc1ccc(C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1
Show InChI InChI=1S/C24H27Cl2N3O2/c25-17-5-1-15(2-6-17)11-22(29-23(30)12-16-3-7-18(26)8-4-16)24(31)28-21-13-19-9-10-20(14-21)27-19/h1-8,19-22,27H,9-14H2,(H,28,31)(H,29,30)/t19-,20+,21+,22-/m1/s1
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21.9n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50418366
PNG
(CHEMBL1774023)
Show SMILES Clc1ccc(C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1
Show InChI InChI=1S/C24H27Cl2N3O2/c25-17-5-1-15(2-6-17)11-22(29-23(30)12-16-3-7-18(26)8-4-16)24(31)28-21-13-19-9-10-20(14-21)27-19/h1-8,19-22,27H,9-14H2,(H,28,31)(H,29,30)/t19-,20+,21+,22-/m1/s1
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21.9n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50029644
PNG
(CHEMBL296908 | N-(3-(4-(4-(2-oxo-3,4-dihydroquinol...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Show InChI InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)
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23.5n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Vasopressin V1a receptor, performed using [3H]-AVP on rat liver


J Med Chem 45: 2589-98 (2002)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50029647
PNG
(1-{1-[4-(1-Acetyl-piperidin-3-ylmethoxy)-benzoyl]-...)
Show SMILES CC(=O)N1CCCC(COc2ccc(cc2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1
Show InChI InChI=1S/C28H33N3O5/c1-20(32)30-14-4-5-21(17-30)18-35-25-10-8-22(9-11-25)27(33)29-15-12-24(13-16-29)31-26-7-3-2-6-23(26)19-36-28(31)34/h2-3,6-11,21,24H,4-5,12-19H2,1H3
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24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in rat liver


J Med Chem 38: 4634-6 (1995)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50029644
PNG
(CHEMBL296908 | N-(3-(4-(4-(2-oxo-3,4-dihydroquinol...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Show InChI InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)
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24n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards Vasopressin V1a receptor in rat liver membrane using [3H]AVP as radioligand


Bioorg Med Chem Lett 12: 229-32 (2001)

More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Rattus norvegicus)
BDBM50205296
PNG
(CHEMBL385739 | d[Arg4,Dab8]VP)
Show SMILES NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H64N14O11S2/c46-16-14-29(38(64)52-23-36(48)62)55-43(69)34-9-5-18-59(34)44(70)33-24-72-71-19-15-37(63)53-30(21-26-10-12-27(60)13-11-26)40(66)56-31(20-25-6-2-1-3-7-25)41(67)54-28(8-4-17-51-45(49)50)39(65)57-32(22-35(47)61)42(68)58-33/h1-3,6-7,10-13,28-34,60H,4-5,8-9,14-24,46H2,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,67)(H,55,69)(H,56,66)(H,57,65)(H,58,68)(H4,49,50,51)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
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25n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from vasopressin V1a receptor in rat liver membrane


Citation and Details
More data for this
Ligand-Target Pair
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