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Compile Data Set for Download or QSAR

Found 603 hits of ic50 for UniProtKB: P30560   
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 V1 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




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
AVPR1A


(RAT)
BDBM50129464
PNG
(CHEMBL71355 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Brc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H20BrN3O2/c27-23-9-3-2-8-22(23)25(31)28-20-13-11-18(12-14-20)26(32)30-17-21-7-5-15-29(21)16-19-6-1-4-10-24(19)30/h1-15H,16-17H2,(H,28,31)
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Bioorg Med Chem Lett 13: 2195-8 (2003)


BindingDB Entry DOI: 10.7270/Q2SF2VJH
More data for this
Ligand-Target Pair
Vasopressin V1 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




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
AVPR1A


(RAT)
BDBM50087552
PNG
(Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C32H25N3O2/c36-31(29-14-6-5-13-28(29)23-9-2-1-3-10-23)33-26-18-16-24(17-19-26)32(37)35-22-27-12-8-20-34(27)21-25-11-4-7-15-30(25)35/h1-20H,21-22H2,(H,33,36)
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n/an/a 3.40n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat V1a receptor


Bioorg Med Chem Lett 10: 695-8 (2000)


BindingDB Entry DOI: 10.7270/Q2X34WP8
More data for this
Ligand-Target Pair
Vasopressin V1 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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Central Pharmaceutical Research Institute

Curated by ChEMBL




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
AVPR1A


(RAT)
BDBM50078652
PNG
(CHEMBL301788 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Fc1ccc(C(=O)Nc2ccc(cn2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C25H18ClFN4O2/c26-21-12-18(27)8-9-20(21)24(32)29-23-10-7-16(13-28-23)25(33)31-15-19-5-3-11-30(19)14-17-4-1-2-6-22(17)31/h1-13H,14-15H2,(H,28,29,32)
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n/an/a 6n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Bioorg Med Chem Lett 9: 1737-40 (1999)


BindingDB Entry DOI: 10.7270/Q23B5ZBZ
More data for this
Ligand-Target Pair
Vasopressin V1 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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Central Pharmaceutical Research Institute

Curated by ChEMBL




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
AVPR1A


(RAT)
BDBM50078660
PNG
(CHEMBL299532 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Brc1ccccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C25H19BrN4O2/c26-21-9-3-2-8-20(21)24(31)28-23-12-11-17(14-27-23)25(32)30-16-19-7-5-13-29(19)15-18-6-1-4-10-22(18)30/h1-14H,15-16H2,(H,27,28,31)
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n/an/a 7n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Bioorg Med Chem Lett 9: 1737-40 (1999)


BindingDB Entry DOI: 10.7270/Q23B5ZBZ
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065122
PNG
(CHEMBL306970 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Fc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C26H19ClFN3O2/c27-23-14-19(28)9-12-22(23)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Bioorg Med Chem Lett 13: 2195-8 (2003)


BindingDB Entry DOI: 10.7270/Q2SF2VJH
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50129469
PNG
(CHEMBL304060 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES CSc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H23N3O2S/c1-33-25-11-5-3-9-23(25)26(31)28-21-14-12-19(13-15-21)27(32)30-18-22-8-6-16-29(22)17-20-7-2-4-10-24(20)30/h2-16H,17-18H2,1H3,(H,28,31)
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n/an/a 9n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Bioorg Med Chem Lett 13: 2195-8 (2003)


BindingDB Entry DOI: 10.7270/Q2SF2VJH
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50078656
PNG
(CHEMBL46295 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1c(F)cccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H21FN4O2/c1-17-21(8-4-9-22(17)27)25(32)29-24-12-11-18(14-28-24)26(33)31-16-20-7-5-13-30(20)15-19-6-2-3-10-23(19)31/h2-14H,15-16H2,1H3,(H,28,29,32)
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n/an/a 9n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Bioorg Med Chem Lett 9: 1737-40 (1999)


BindingDB Entry DOI: 10.7270/Q23B5ZBZ
More data for this
Ligand-Target Pair
Vasopressin V1 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




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 V1 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




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
AVPR1A


(RAT)
BDBM50065120
PNG
(CHEMBL302709 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H20ClN3O2/c27-23-9-3-2-8-22(23)25(31)28-20-13-11-18(12-14-20)26(32)30-17-21-7-5-15-29(21)16-19-6-1-4-10-24(19)30/h1-15H,16-17H2,(H,28,31)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Bioorg Med Chem Lett 13: 2195-8 (2003)


BindingDB Entry DOI: 10.7270/Q2SF2VJH
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065120
PNG
(CHEMBL302709 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H20ClN3O2/c27-23-9-3-2-8-22(23)25(31)28-20-13-11-18(12-14-20)26(32)30-17-21-7-5-15-29(21)16-19-6-1-4-10-24(19)30/h1-15H,16-17H2,(H,28,31)
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n/an/a 10n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50078651
PNG
(CHEMBL300963 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C25H19ClN4O2/c26-21-9-3-2-8-20(21)24(31)28-23-12-11-17(14-27-23)25(32)30-16-19-7-5-13-29(19)15-18-6-1-4-10-22(18)30/h1-14H,15-16H2,(H,27,28,31)
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n/an/a 11n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Bioorg Med Chem Lett 9: 1737-40 (1999)


BindingDB Entry DOI: 10.7270/Q23B5ZBZ
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50087541
PNG
(Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C32H24ClN3O2/c33-29-19-24(34-31(37)27-14-6-5-13-26(27)22-9-2-1-3-10-22)16-17-28(29)32(38)36-21-25-12-8-18-35(25)20-23-11-4-7-15-30(23)36/h1-19H,20-21H2,(H,34,37)
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n/an/a 16n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat V1a receptor


Bioorg Med Chem Lett 10: 695-8 (2000)


BindingDB Entry DOI: 10.7270/Q2X34WP8
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50129472
PNG
(CHEMBL70949 | N-[4-(5,11-Dihydro-dibenzo[b,e][1,4]...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2ccccc2Nc2ccccc12
Show InChI InChI=1S/C28H23N3O2/c1-19-8-2-4-10-23(19)27(32)29-22-16-14-20(15-17-22)28(33)31-18-21-9-3-5-11-24(21)30-25-12-6-7-13-26(25)31/h2-17,30H,18H2,1H3,(H,29,32)
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n/an/a 19n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Bioorg Med Chem Lett 13: 2195-8 (2003)


BindingDB Entry DOI: 10.7270/Q2SF2VJH
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065124
PNG
(CHEMBL68085 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H22FN3O2/c1-18-8-11-21(28)15-24(18)26(32)29-22-12-9-19(10-13-22)27(33)31-17-23-6-4-14-30(23)16-20-5-2-3-7-25(20)31/h2-15H,16-17H2,1H3,(H,29,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Bioorg Med Chem Lett 13: 2195-8 (2003)


BindingDB Entry DOI: 10.7270/Q2SF2VJH
More data for this
Ligand-Target Pair
Vasopressin V1 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




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 V1 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




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 V1 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




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 V1 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




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 V1 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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Central Pharmaceutical Research Institute

Curated by ChEMBL




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
AVPR1A


(RAT)
BDBM50078654
PNG
(CHEMBL297990 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H22N4O2/c1-18-7-2-4-10-22(18)25(31)28-24-13-12-19(15-27-24)26(32)30-17-21-9-6-14-29(21)16-20-8-3-5-11-23(20)30/h2-15H,16-17H2,1H3,(H,27,28,31)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of (Phe-3,4,5 [3H]-) AVP binding towards isolated rat hepatic Vasopressin V1a receptor


Bioorg Med Chem Lett 9: 1737-40 (1999)


BindingDB Entry DOI: 10.7270/Q23B5ZBZ
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065110
PNG
(CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)
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n/an/a 23n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat V1a receptor


Bioorg Med Chem Lett 10: 695-8 (2000)


BindingDB Entry DOI: 10.7270/Q2X34WP8
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065110
PNG
(CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Bioorg Med Chem Lett 13: 2195-8 (2003)


BindingDB Entry DOI: 10.7270/Q2SF2VJH
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065110
PNG
(CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065130
PNG
(CHEMBL71305 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H20F3N3O2/c28-27(29,30)23-9-3-2-8-22(23)25(34)31-20-13-11-18(12-14-20)26(35)33-17-21-7-5-15-32(21)16-19-6-1-4-10-24(19)33/h1-15H,16-17H2,(H,31,34)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065119
PNG
(CHEMBL70981 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1c(F)cccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H22FN3O2/c1-18-23(8-4-9-24(18)28)26(32)29-21-13-11-19(12-14-21)27(33)31-17-22-7-5-15-30(22)16-20-6-2-3-10-25(20)31/h2-15H,16-17H2,1H3,(H,29,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065130
PNG
(CHEMBL71305 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H20F3N3O2/c28-27(29,30)23-9-3-2-8-22(23)25(34)31-20-13-11-18(12-14-20)26(35)33-17-21-7-5-15-32(21)16-19-6-1-4-10-24(19)33/h1-15H,16-17H2,(H,31,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Bioorg Med Chem Lett 13: 2195-8 (2003)


BindingDB Entry DOI: 10.7270/Q2SF2VJH
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065119
PNG
(CHEMBL70981 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1c(F)cccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H22FN3O2/c1-18-23(8-4-9-24(18)28)26(32)29-21-13-11-19(12-14-21)27(33)31-17-22-7-5-15-30(22)16-20-6-2-3-10-25(20)31/h2-15H,16-17H2,1H3,(H,29,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Bioorg Med Chem Lett 13: 2195-8 (2003)


BindingDB Entry DOI: 10.7270/Q2SF2VJH
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50129463
PNG
(CHEMBL71282 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Clc1cccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c1Cl
Show InChI InChI=1S/C26H19Cl2N3O2/c27-22-8-3-7-21(24(22)28)25(32)29-19-12-10-17(11-13-19)26(33)31-16-20-6-4-14-30(20)15-18-5-1-2-9-23(18)31/h1-14H,15-16H2,(H,29,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Bioorg Med Chem Lett 13: 2195-8 (2003)


BindingDB Entry DOI: 10.7270/Q2SF2VJH
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50078659
PNG
(Biphenyl-2-carboxylic acid [5-(5H,11H-benzo[e]pyrr...)
Show SMILES O=C(Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C31H24N4O2/c36-30(27-14-6-5-13-26(27)22-9-2-1-3-10-22)33-29-17-16-23(19-32-29)31(37)35-21-25-12-8-18-34(25)20-24-11-4-7-15-28(24)35/h1-19H,20-21H2,(H,32,33,36)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Bioorg Med Chem Lett 9: 1737-40 (1999)


BindingDB Entry DOI: 10.7270/Q23B5ZBZ
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065117
PNG
(CHEMBL304956 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Cc1cccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c1C
Show InChI InChI=1S/C28H25N3O2/c1-19-7-5-10-25(20(19)2)27(32)29-23-14-12-21(13-15-23)28(33)31-18-24-9-6-16-30(24)17-22-8-3-4-11-26(22)31/h3-16H,17-18H2,1-2H3,(H,29,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065126
PNG
(CHEMBL73286 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H23N3O3/c1-33-25-11-5-3-9-23(25)26(31)28-21-14-12-19(13-15-21)27(32)30-18-22-8-6-16-29(22)17-20-7-2-4-10-24(20)30/h2-16H,17-18H2,1H3,(H,28,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Bioorg Med Chem Lett 13: 2195-8 (2003)


BindingDB Entry DOI: 10.7270/Q2SF2VJH
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065126
PNG
(CHEMBL73286 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H23N3O3/c1-33-25-11-5-3-9-23(25)26(31)28-21-14-12-19(13-15-21)27(32)30-18-22-8-6-16-29(22)17-20-7-2-4-10-24(20)30/h2-16H,17-18H2,1H3,(H,28,31)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50366915
PNG
(CHEMBL1788220)
Show SMILES CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |r,t:8|
Show InChI InChI=1S/C39H40N4O3/c1-42(2)25-23-40-36(44)31-20-21-39(27-31)22-24-43(35-15-9-6-12-30(35)26-39)38(46)29-16-18-32(19-17-29)41-37(45)34-14-8-7-13-33(34)28-10-4-3-5-11-28/h3-19,27H,20-26H2,1-2H3,(H,40,44)(H,41,45)/t39-/m1/s1
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Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards vasopressin V1a receptor in rat


Bioorg Med Chem Lett 14: 3143-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.016
BindingDB Entry DOI: 10.7270/Q2Z60PMQ
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065131
PNG
(CHEMBL82376 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1cc(ccc1NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H21Cl2N3O2/c1-17-13-18(8-11-24(17)30-26(33)22-10-9-20(28)14-23(22)29)27(34)32-16-21-6-4-12-31(21)15-19-5-2-3-7-25(19)32/h2-14H,15-16H2,1H3,(H,30,33)
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n/an/a 33n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50078663
PNG
(CHEMBL300946 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H21FN4O2/c1-17-8-10-20(27)13-22(17)25(32)29-24-11-9-18(14-28-24)26(33)31-16-21-6-4-12-30(21)15-19-5-2-3-7-23(19)31/h2-14H,15-16H2,1H3,(H,28,29,32)
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n/an/a 33n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Bioorg Med Chem Lett 9: 1737-40 (1999)


BindingDB Entry DOI: 10.7270/Q23B5ZBZ
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065113
PNG
(CHEMBL310581 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES COc1cc(Cl)ccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H22ClN3O3/c1-34-25-15-20(28)10-13-23(25)26(32)29-21-11-8-18(9-12-21)27(33)31-17-22-6-4-14-30(22)16-19-5-2-3-7-24(19)31/h2-15H,16-17H2,1H3,(H,29,32)
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n/an/a 33n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065127
PNG
(CHEMBL71797 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H23N3O2/c1-19-7-2-4-10-24(19)26(31)28-22-14-12-20(13-15-22)27(32)30-18-23-9-6-16-29(23)17-21-8-3-5-11-25(21)30/h2-16H,17-18H2,1H3,(H,28,31)
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n/an/a 38n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065127
PNG
(CHEMBL71797 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H23N3O2/c1-19-7-2-4-10-24(19)26(31)28-22-14-12-20(13-15-22)27(32)30-18-23-9-6-16-29(23)17-21-8-3-5-11-25(21)30/h2-16H,17-18H2,1H3,(H,28,31)
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n/an/a 38n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Bioorg Med Chem Lett 13: 2195-8 (2003)


BindingDB Entry DOI: 10.7270/Q2SF2VJH
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50078655
PNG
(CHEMBL49824 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Fc1cccc(Cl)c1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C25H18ClFN4O2/c26-19-7-3-8-20(27)23(19)24(32)29-22-11-10-16(13-28-22)25(33)31-15-18-6-4-12-30(18)14-17-5-1-2-9-21(17)31/h1-13H,14-15H2,(H,28,29,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Bioorg Med Chem Lett 9: 1737-40 (1999)


BindingDB Entry DOI: 10.7270/Q23B5ZBZ
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50129465
PNG
(CHEMBL309096 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES CCOc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C28H25N3O3/c1-2-34-26-12-6-4-10-24(26)27(32)29-22-15-13-20(14-16-22)28(33)31-19-23-9-7-17-30(23)18-21-8-3-5-11-25(21)31/h3-17H,2,18-19H2,1H3,(H,29,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Bioorg Med Chem Lett 13: 2195-8 (2003)


BindingDB Entry DOI: 10.7270/Q2SF2VJH
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065125
PNG
(CHEMBL311230 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc34)c(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C26H18Cl3N3O2/c27-17-7-9-20(22(28)12-17)25(33)30-18-8-10-21(23(29)13-18)26(34)32-15-19-5-3-11-31(19)14-16-4-1-2-6-24(16)32/h1-13H,14-15H2,(H,30,33)
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n/an/a 45n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50052909
PNG
(2-Chloro-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C24H21ClN2O2/c25-21-10-3-2-9-20(21)23(28)26-19-14-12-18(13-15-19)24(29)27-16-6-5-8-17-7-1-4-11-22(17)27/h1-4,7,9-15H,5-6,8,16H2,(H,26,28)
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n/an/a 45n/an/an/an/an/an/a



Otsuka Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from AVP-V1a receptor binding site in rat liver


J Med Chem 39: 3547-55 (1996)


Article DOI: 10.1021/jm960133o
BindingDB Entry DOI: 10.7270/Q2DZ07CT
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065121
PNG
(CHEMBL310416 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H22ClN3O2/c1-18-7-2-4-10-22(18)26(32)29-20-12-13-23(24(28)15-20)27(33)31-17-21-9-6-14-30(21)16-19-8-3-5-11-25(19)31/h2-15H,16-17H2,1H3,(H,29,32)
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n/an/a 54n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50129476
PNG
(2-Methyl-N-[4-(6H-phenanthridine-5-carbonyl)-pheny...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2ccccc2-c2ccccc12
Show InChI InChI=1S/C28H22N2O2/c1-19-8-2-4-10-23(19)27(31)29-22-16-14-20(15-17-22)28(32)30-18-21-9-3-5-11-24(21)25-12-6-7-13-26(25)30/h2-17H,18H2,1H3,(H,29,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Bioorg Med Chem Lett 13: 2195-8 (2003)


BindingDB Entry DOI: 10.7270/Q2SF2VJH
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50052954
PNG
(2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)
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Otsuka Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from AVP-V1a receptor binding site in rat liver


J Med Chem 39: 3547-55 (1996)


Article DOI: 10.1021/jm960133o
BindingDB Entry DOI: 10.7270/Q2DZ07CT
More data for this
Ligand-Target Pair
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