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8 similar compounds to monomer 50038601

Compile data set for download or QSAR
Wt: 1315.4
BDBM50038602
Wt: 1329.4
BDBM50038603
Wt: 1315.4
BDBM50038604
Wt: 1343.4
BDBM50038599
Wt: 1301.4
BDBM50038600
Wt: 1127.2
BDBM50075720
Wt: 1111.2
BDBM50075721
Wt: 1469.3
BDBM50166224

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50038602,50038603,50038604,50038599,50038600,50075720,50075721,50166224   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50075720
PNG
((HO-LVA23)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-4-H...)
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(N)=O)C(=O)Cc1ccc(O)cc1
Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)28-32-15-19-34(71)20-16-32)41(27-31-13-17-33(70)18-14-31)50(80)67-38(26-30-8-3-2-4-9-30)47(77)64-36(21-22-42(54)72)46(76)66-39(29-43(55)73)48(78)65-37(11-6-24-62-53(59)60)51(81)69-25-7-12-40(69)49(79)63-35(45(56)75)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70-71H,5-7,10-12,21-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,79)(H,64,77)(H,65,78)(H,66,76)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells


J Med Chem 42: 1312-9 (1999)


Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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


J Med Chem 48: 3379-88 (2005)


Article DOI: 10.1021/jm040871+
BindingDB Entry DOI: 10.7270/Q2SJ1MDG
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
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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0.650n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant at OT receptor of rat mamary glands


J Med Chem 37: 1841-9 (1994)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50075721
PNG
((LVA)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-phenylac...)
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(N)=O)C(=O)Cc1ccccc1
Show InChI InChI=1S/C53H74N16O11/c1-68(44(73)29-32-13-6-3-7-14-32)41(28-33-18-20-34(70)21-19-33)50(79)67-38(27-31-11-4-2-5-12-31)47(76)64-36(22-23-42(54)71)46(75)66-39(30-43(55)72)48(77)65-37(16-9-25-62-53(59)60)51(80)69-26-10-17-40(69)49(78)63-35(45(56)74)15-8-24-61-52(57)58/h2-7,11-14,18-21,35-41,70H,8-10,15-17,22-30H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,78)(H,64,76)(H,65,77)(H,66,75)(H,67,79)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1
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0.800n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells


J Med Chem 42: 1312-9 (1999)


Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50075721
PNG
((LVA)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-phenylac...)
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(N)=O)C(=O)Cc1ccccc1
Show InChI InChI=1S/C53H74N16O11/c1-68(44(73)29-32-13-6-3-7-14-32)41(28-33-18-20-34(70)21-19-33)50(79)67-38(27-31-11-4-2-5-12-31)47(76)64-36(22-23-42(54)71)46(75)66-39(30-43(55)72)48(77)65-37(16-9-25-62-53(59)60)51(80)69-26-10-17-40(69)49(78)63-35(45(56)74)15-8-24-61-52(57)58/h2-7,11-14,18-21,35-41,70H,8-10,15-17,22-30H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,78)(H,64,76)(H,65,77)(H,66,75)(H,67,79)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...


J Med Chem 42: 1312-9 (1999)


Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
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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1.40n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant at OT receptor of rat mamary glands


J Med Chem 37: 1841-9 (1994)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50075720
PNG
((HO-LVA23)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-4-H...)
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(N)=O)C(=O)Cc1ccc(O)cc1
Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)28-32-15-19-34(71)20-16-32)41(27-31-13-17-33(70)18-14-31)50(80)67-38(26-30-8-3-2-4-9-30)47(77)64-36(21-22-42(54)72)46(76)66-39(29-43(55)73)48(78)65-37(11-6-24-62-53(59)60)51(81)69-25-7-12-40(69)49(79)63-35(45(56)75)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70-71H,5-7,10-12,21-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,79)(H,64,77)(H,65,78)(H,66,76)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...


J Med Chem 42: 1312-9 (1999)


Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
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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3n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant at V2 receptor of rat kidney membrane


J Med Chem 37: 1841-9 (1994)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
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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4.80n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant at OT receptor of rat mamary glands


J Med Chem 37: 1841-9 (1994)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50075720
PNG
((HO-LVA23)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-4-H...)
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(N)=O)C(=O)Cc1ccc(O)cc1
Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)28-32-15-19-34(71)20-16-32)41(27-31-13-17-33(70)18-14-31)50(80)67-38(26-30-8-3-2-4-9-30)47(77)64-36(21-22-42(54)72)46(76)66-39(29-43(55)73)48(78)65-37(11-6-24-62-53(59)60)51(81)69-25-7-12-40(69)49(79)63-35(45(56)75)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70-71H,5-7,10-12,21-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,79)(H,64,77)(H,65,78)(H,66,76)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [125I]- HO-LVA ligand from human Vasopressin V1b receptor in the membranes of CHO cells


J Med Chem 42: 1312-9 (1999)


Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
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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8n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant at V2 receptor of rat kidney membrane


J Med Chem 37: 1841-9 (1994)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50075721
PNG
((LVA)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-phenylac...)
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(N)=O)C(=O)Cc1ccccc1
Show InChI InChI=1S/C53H74N16O11/c1-68(44(73)29-32-13-6-3-7-14-32)41(28-33-18-20-34(70)21-19-33)50(79)67-38(27-31-11-4-2-5-12-31)47(76)64-36(22-23-42(54)71)46(75)66-39(30-43(55)72)48(77)65-37(16-9-25-62-53(59)60)51(80)69-26-10-17-40(69)49(78)63-35(45(56)74)15-8-24-61-52(57)58/h2-7,11-14,18-21,35-41,70H,8-10,15-17,22-30H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,78)(H,64,76)(H,65,77)(H,66,75)(H,67,79)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1
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9.40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...


J Med Chem 42: 1312-9 (1999)


Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
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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10n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant at V2 receptor of rat kidney membrane


J Med Chem 37: 1841-9 (1994)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
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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18n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant at OT receptor of rat mamary glands


J Med Chem 37: 1841-9 (1994)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50075720
PNG
((HO-LVA23)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-4-H...)
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(N)=O)C(=O)Cc1ccc(O)cc1
Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)28-32-15-19-34(71)20-16-32)41(27-31-13-17-33(70)18-14-31)50(80)67-38(26-30-8-3-2-4-9-30)47(77)64-36(21-22-42(54)72)46(76)66-39(29-43(55)73)48(78)65-37(11-6-24-62-53(59)60)51(81)69-25-7-12-40(69)49(79)63-35(45(56)75)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70-71H,5-7,10-12,21-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,79)(H,64,77)(H,65,78)(H,66,76)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1
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137n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for its ability to of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of human Vasopressin V2 receptor


J Med Chem 42: 1312-9 (1999)


Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50075721
PNG
((LVA)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-phenylac...)
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(N)=O)C(=O)Cc1ccccc1
Show InChI InChI=1S/C53H74N16O11/c1-68(44(73)29-32-13-6-3-7-14-32)41(28-33-18-20-34(70)21-19-33)50(79)67-38(27-31-11-4-2-5-12-31)47(76)64-36(22-23-42(54)71)46(75)66-39(30-43(55)72)48(77)65-37(16-9-25-62-53(59)60)51(80)69-26-10-17-40(69)49(78)63-35(45(56)74)15-8-24-61-52(57)58/h2-7,11-14,18-21,35-41,70H,8-10,15-17,22-30H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,78)(H,64,76)(H,65,77)(H,66,75)(H,67,79)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1
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282n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...


J Med Chem 42: 1312-9 (1999)


Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
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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1.60E+4n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant at V2 receptor of rat kidney membrane


J Med Chem 37: 1841-9 (1994)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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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n/an/an/a 0.0400n/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for dissociation constant at V1a receptor of rat liver membrane


J Med Chem 37: 1841-9 (1994)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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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n/an/an/a 0.150n/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for dissociation constant at V1a receptor of rat liver membrane


J Med Chem 37: 1841-9 (1994)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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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n/an/an/a 0.0540n/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for dissociation constant at V1a receptor of rat liver membrane


J Med Chem 37: 1841-9 (1994)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair