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Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with all data for entry = 50035394   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin V1a receptor


(Homo sapiens (Human))
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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n/an/a 2n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147227
PNG
(3'N-(3-dimethylaminopropyl)-1-[4-(5-fluoro-2-methy...)
Show SMILES CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 |t:9|
Show InChI InChI=1S/C35H39FN4O3/c1-24-9-12-28(36)21-30(24)33(42)38-29-13-10-25(11-14-29)34(43)40-20-17-35(22-26-7-4-5-8-31(26)40)16-15-27(23-35)32(41)37-18-6-19-39(2)3/h4-5,7-14,21,23H,6,15-20,22H2,1-3H3,(H,37,41)(H,38,42)
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Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50366914
PNG
(CHEMBL1788221)
Show SMILES CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 |r,t:8|
Show InChI InChI=1S/C33H35FN4O3/c1-37(2)20-18-35-30(39)25-15-16-33(22-25)17-19-38(29-10-6-3-7-24(29)21-33)32(41)23-11-13-26(14-12-23)36-31(40)27-8-4-5-9-28(27)34/h3-14,22H,15-21H2,1-2H3,(H,35,39)(H,36,40)/t33-/m0/s1
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Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147224
PNG
(3'N-(2-dimethylaminoethyl)-1-[4-(2-phenylphenylcar...)
Show SMILES CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |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)
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Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147220
PNG
(4-{2-[1-[4-(2-fluorophenylcarboxamido)benzoyl]spir...)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCOCC2)Cc2ccccc12 |c:26|
Show InChI InChI=1S/C35H37FN4O4/c36-30-7-3-2-6-29(30)33(42)38-28-11-9-25(10-12-28)34(43)40-17-15-35(23-26-5-1-4-8-31(26)40)14-13-27(24-35)32(41)37-16-18-39-19-21-44-22-20-39/h1-12,24H,13-23H2,(H,37,41)(H,38,42)
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Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147223
PNG
(3'N-(2-hydroxyethyl)-1-[4-(2-fluorophenylcarboxami...)
Show SMILES OCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 |t:6|
Show InChI InChI=1S/C31H30FN3O4/c32-26-7-3-2-6-25(26)29(38)34-24-11-9-21(10-12-24)30(39)35-17-15-31(19-22-5-1-4-8-27(22)35)14-13-23(20-31)28(37)33-16-18-36/h1-12,20,36H,13-19H2,(H,33,37)(H,34,38)
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Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147227
PNG
(3'N-(3-dimethylaminopropyl)-1-[4-(5-fluoro-2-methy...)
Show SMILES CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 |t:9|
Show InChI InChI=1S/C35H39FN4O3/c1-24-9-12-28(36)21-30(24)33(42)38-29-13-10-25(11-14-29)34(43)40-20-17-35(22-26-7-4-5-8-31(26)40)16-15-27(23-35)32(41)37-18-6-19-39(2)3/h4-5,7-14,21,23H,6,15-20,22H2,1-3H3,(H,37,41)(H,38,42)
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Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V2 receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147221
PNG
(3'N-(2-hydroxyethyl)-1-[4-(2-phenylphenylcarboxami...)
Show SMILES OCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |t:6|
Show InChI InChI=1S/C37H35N3O4/c41-23-21-38-34(42)29-18-19-37(25-29)20-22-40(33-13-7-4-10-28(33)24-37)36(44)27-14-16-30(17-15-27)39-35(43)32-12-6-5-11-31(32)26-8-2-1-3-9-26/h1-17,25,41H,18-24H2,(H,38,42)(H,39,43)
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Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


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
Vasopressin V2 receptor


(Rattus norvegicus (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 V2 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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147224
PNG
(3'N-(2-dimethylaminoethyl)-1-[4-(2-phenylphenylcar...)
Show SMILES CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |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)
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Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147219
PNG
(3'N-(2-dimethylaminoethyl)-1-[4-(5-fluoro-2-methyl...)
Show SMILES CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 |t:8|
Show InChI InChI=1S/C34H37FN4O3/c1-23-8-11-27(35)20-29(23)32(41)37-28-12-9-24(10-13-28)33(42)39-18-16-34(21-25-6-4-5-7-30(25)39)15-14-26(22-34)31(40)36-17-19-38(2)3/h4-13,20,22H,14-19,21H2,1-3H3,(H,36,40)(H,37,41)
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Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147228
PNG
(3'N-(3-dimethylaminopropyl)-1-[4-(2-phenylphenylca...)
Show SMILES CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |t:9|
Show InChI InChI=1S/C40H42N4O3/c1-43(2)25-10-24-41-37(45)32-21-22-40(28-32)23-26-44(36-16-9-6-13-31(36)27-40)39(47)30-17-19-33(20-18-30)42-38(46)35-15-8-7-14-34(35)29-11-4-3-5-12-29/h3-9,11-20,28H,10,21-27H2,1-2H3,(H,41,45)(H,42,46)
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Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147221
PNG
(3'N-(2-hydroxyethyl)-1-[4-(2-phenylphenylcarboxami...)
Show SMILES OCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |t:6|
Show InChI InChI=1S/C37H35N3O4/c41-23-21-38-34(42)29-18-19-37(25-29)20-22-40(33-13-7-4-10-28(33)24-37)36(44)27-14-16-30(17-15-27)39-35(43)32-12-6-5-11-31(32)26-8-2-1-3-9-26/h1-17,25,41H,18-24H2,(H,38,42)(H,39,43)
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Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147230
PNG
(CHEMBL319636 | methyl 2-[1-[4-(5-fluoro-2-methylph...)
Show SMILES COC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 |t:8|
Show InChI InChI=1S/C33H32FN3O5/c1-21-7-10-25(34)17-27(21)31(40)36-26-11-8-22(9-12-26)32(41)37-16-15-33(18-23-5-3-4-6-28(23)37)14-13-24(19-33)30(39)35-20-29(38)42-2/h3-12,17,19H,13-16,18,20H2,1-2H3,(H,35,39)(H,36,40)
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Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147225
PNG
(3'N-(2-hexahydro-1-pyridinylethyl)-1-[4-(2-fluorop...)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCCC2)Cc2ccccc12 |c:26|
Show InChI InChI=1S/C36H39FN4O3/c37-31-10-4-3-9-30(31)34(43)39-29-14-12-26(13-15-29)35(44)41-22-18-36(24-27-8-2-5-11-32(27)41)17-16-28(25-36)33(42)38-19-23-40-20-6-1-7-21-40/h2-5,8-15,25H,1,6-7,16-24H2,(H,38,42)(H,39,43)
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Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


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
Vasopressin V2 receptor


(Homo sapiens (Human))
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 intracellular calcium mobilization in HEK- 293 cells transfected to express human vasopressin V1a receptor (Compound 7o)


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147222
PNG
(3'N-(2-dimethylaminoethyl)-1-[4-(2-fluorophenylcar...)
Show SMILES CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 |t:8|
Show InChI InChI=1S/C33H35FN4O3/c1-37(2)20-18-35-30(39)25-15-16-33(22-25)17-19-38(29-10-6-3-7-24(29)21-33)32(41)23-11-13-26(14-12-23)36-31(40)27-8-4-5-9-28(27)34/h3-14,22H,15-21H2,1-2H3,(H,35,39)(H,36,40)
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n/an/a 8n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147226
PNG
(3'N-(2-tetrahydro-1H-1-pyrrolylethyl)-1-[4-(2-fluo...)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCC2)Cc2ccccc12 |c:26|
Show InChI InChI=1S/C35H37FN4O3/c36-30-9-3-2-8-29(30)33(42)38-28-13-11-25(12-14-28)34(43)40-21-17-35(23-26-7-1-4-10-31(26)40)16-15-27(24-35)32(41)37-18-22-39-19-5-6-20-39/h1-4,7-14,24H,5-6,15-23H2,(H,37,41)(H,38,42)
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n/an/a 8n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147229
PNG
(3'N-(2-hexahydro-1-pyridinylethyl)-1-[4-(5-fluoro-...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCCC2)Cc2ccccc12 |c:27|
Show InChI InChI=1S/C37H41FN4O3/c1-26-9-12-30(38)23-32(26)35(44)40-31-13-10-27(11-14-31)36(45)42-21-17-37(24-28-7-3-4-8-33(28)42)16-15-29(25-37)34(43)39-18-22-41-19-5-2-6-20-41/h3-4,7-14,23,25H,2,5-6,15-22,24H2,1H3,(H,39,43)(H,40,44)
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n/an/a 8n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human V2 receptor (Compound 7o)


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147229
PNG
(3'N-(2-hexahydro-1-pyridinylethyl)-1-[4-(5-fluoro-...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCCC2)Cc2ccccc12 |c:27|
Show InChI InChI=1S/C37H41FN4O3/c1-26-9-12-30(38)23-32(26)35(44)40-31-13-10-27(11-14-31)36(45)42-21-17-37(24-28-7-3-4-8-33(28)42)16-15-29(25-37)34(43)39-18-22-41-19-5-2-6-20-41/h3-4,7-14,23,25H,2,5-6,15-22,24H2,1H3,(H,39,43)(H,40,44)
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n/an/a 9n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for accumulation of cAMP in transfected HEK293 cells expressing human V2 receptor (Compound 7o)


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147229
PNG
(3'N-(2-hexahydro-1-pyridinylethyl)-1-[4-(5-fluoro-...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCCC2)Cc2ccccc12 |c:27|
Show InChI InChI=1S/C37H41FN4O3/c1-26-9-12-30(38)23-32(26)35(44)40-31-13-10-27(11-14-31)36(45)42-21-17-37(24-28-7-3-4-8-33(28)42)16-15-29(25-37)34(43)39-18-22-41-19-5-2-6-20-41/h3-4,7-14,23,25H,2,5-6,15-22,24H2,1H3,(H,39,43)(H,40,44)
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n/an/a 10n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147230
PNG
(CHEMBL319636 | methyl 2-[1-[4-(5-fluoro-2-methylph...)
Show SMILES COC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 |t:8|
Show InChI InChI=1S/C33H32FN3O5/c1-21-7-10-25(34)17-27(21)31(40)36-26-11-8-22(9-12-26)32(41)37-16-15-33(18-23-5-3-4-6-28(23)37)14-13-24(19-33)30(39)35-20-29(38)42-2/h3-12,17,19H,13-16,18,20H2,1-2H3,(H,35,39)(H,36,40)
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n/an/a 10n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V2 receptor


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147221
PNG
(3'N-(2-hydroxyethyl)-1-[4-(2-phenylphenylcarboxami...)
Show SMILES OCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |t:6|
Show InChI InChI=1S/C37H35N3O4/c41-23-21-38-34(42)29-18-19-37(25-29)20-22-40(33-13-7-4-10-28(33)24-37)36(44)27-14-16-30(17-15-27)39-35(43)32-12-6-5-11-31(32)26-8-2-1-3-9-26/h1-17,25,41H,18-24H2,(H,38,42)(H,39,43)
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n/an/a 11n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V2 receptor


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147224
PNG
(3'N-(2-dimethylaminoethyl)-1-[4-(2-phenylphenylcar...)
Show SMILES CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |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)
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n/an/a 11n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V2 receptor


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147228
PNG
(3'N-(3-dimethylaminopropyl)-1-[4-(2-phenylphenylca...)
Show SMILES CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |t:9|
Show InChI InChI=1S/C40H42N4O3/c1-43(2)25-10-24-41-37(45)32-21-22-40(28-32)23-26-44(36-16-9-6-13-31(36)27-40)39(47)30-17-19-33(20-18-30)42-38(46)35-15-8-7-14-34(35)29-11-4-3-5-12-29/h3-9,11-20,28H,10,21-27H2,1-2H3,(H,41,45)(H,42,46)
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n/an/a 16n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V2 receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147229
PNG
(3'N-(2-hexahydro-1-pyridinylethyl)-1-[4-(5-fluoro-...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCCC2)Cc2ccccc12 |c:27|
Show InChI InChI=1S/C37H41FN4O3/c1-26-9-12-30(38)23-32(26)35(44)40-31-13-10-27(11-14-31)36(45)42-21-17-37(24-28-7-3-4-8-33(28)42)16-15-29(25-37)34(43)39-18-22-41-19-5-2-6-20-41/h3-4,7-14,23,25H,2,5-6,15-22,24H2,1H3,(H,39,43)(H,40,44)
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n/an/a 16n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor (Compound 7o)


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147231
PNG
(2-[1-[4-(2-phenylphenylcarboxamido)benzoyl]spiro[2...)
Show SMILES OC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |t:7|
Show InChI InChI=1S/C37H33N3O5/c41-33(42)24-38-34(43)28-18-19-37(23-28)20-21-40(32-13-7-4-10-27(32)22-37)36(45)26-14-16-29(17-15-26)39-35(44)31-12-6-5-11-30(31)25-8-2-1-3-9-25/h1-17,23H,18-22,24H2,(H,38,43)(H,39,44)(H,41,42)
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n/an/a 18n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V2 receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147232
PNG
(3'N-(2-tetrahydro-1H-1-pyrrolylethyl)-1-[4-(5-fluo...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCC2)Cc2ccccc12 |c:27|
Show InChI InChI=1S/C36H39FN4O3/c1-25-8-11-29(37)22-31(25)34(43)39-30-12-9-26(10-13-30)35(44)41-20-16-36(23-27-6-2-3-7-32(27)41)15-14-28(24-36)33(42)38-17-21-40-18-4-5-19-40/h2-3,6-13,22,24H,4-5,14-21,23H2,1H3,(H,38,42)(H,39,43)
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n/an/a 19n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V2 receptor


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147219
PNG
(3'N-(2-dimethylaminoethyl)-1-[4-(5-fluoro-2-methyl...)
Show SMILES CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 |t:8|
Show InChI InChI=1S/C34H37FN4O3/c1-23-8-11-27(35)20-29(23)32(41)37-28-12-9-24(10-13-28)33(42)39-18-16-34(21-25-6-4-5-7-30(25)39)15-14-26(22-34)31(40)36-17-19-38(2)3/h4-13,20,22H,14-19,21H2,1-3H3,(H,36,40)(H,37,41)
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n/an/a 20n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V2 receptor


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147228
PNG
(3'N-(3-dimethylaminopropyl)-1-[4-(2-phenylphenylca...)
Show SMILES CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |t:9|
Show InChI InChI=1S/C40H42N4O3/c1-43(2)25-10-24-41-37(45)32-21-22-40(28-32)23-26-44(36-16-9-6-13-31(36)27-40)39(47)30-17-19-33(20-18-30)42-38(46)35-15-8-7-14-34(35)29-11-4-3-5-12-29/h3-9,11-20,28H,10,21-27H2,1-2H3,(H,41,45)(H,42,46)
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n/an/a 20n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for accumulation of cAMP in transfected HEK293 cells expressing human vasopressin V2 receptor


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147227
PNG
(3'N-(3-dimethylaminopropyl)-1-[4-(5-fluoro-2-methy...)
Show SMILES CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 |t:9|
Show InChI InChI=1S/C35H39FN4O3/c1-24-9-12-28(36)21-30(24)33(42)38-29-13-10-25(11-14-29)34(43)40-20-17-35(22-26-7-4-5-8-31(26)40)16-15-27(23-35)32(41)37-18-6-19-39(2)3/h4-5,7-14,21,23H,6,15-20,22H2,1-3H3,(H,37,41)(H,38,42)
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n/an/a 23n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V2 receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147231
PNG
(2-[1-[4-(2-phenylphenylcarboxamido)benzoyl]spiro[2...)
Show SMILES OC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |t:7|
Show InChI InChI=1S/C37H33N3O5/c41-33(42)24-38-34(43)28-18-19-37(23-28)20-21-40(32-13-7-4-10-27(32)22-37)36(45)26-14-16-29(17-15-26)39-35(44)31-12-6-5-11-30(31)25-8-2-1-3-9-25/h1-17,23H,18-22,24H2,(H,38,43)(H,39,44)(H,41,42)
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n/an/a 24n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147232
PNG
(3'N-(2-tetrahydro-1H-1-pyrrolylethyl)-1-[4-(5-fluo...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCC2)Cc2ccccc12 |c:27|
Show InChI InChI=1S/C36H39FN4O3/c1-25-8-11-29(37)22-31(25)34(43)39-30-12-9-26(10-13-30)35(44)41-20-16-36(23-27-6-2-3-7-32(27)41)15-14-28(24-36)33(42)38-17-21-40-18-4-5-19-40/h2-3,6-13,22,24H,4-5,14-21,23H2,1H3,(H,38,42)(H,39,43)
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n/an/a 29n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147228
PNG
(3'N-(3-dimethylaminopropyl)-1-[4-(2-phenylphenylca...)
Show SMILES CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |t:9|
Show InChI InChI=1S/C40H42N4O3/c1-43(2)25-10-24-41-37(45)32-21-22-40(28-32)23-26-44(36-16-9-6-13-31(36)27-40)39(47)30-17-19-33(20-18-30)42-38(46)35-15-8-7-14-34(35)29-11-4-3-5-12-29/h3-9,11-20,28H,10,21-27H2,1-2H3,(H,41,45)(H,42,46)
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n/an/a 29n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147227
PNG
(3'N-(3-dimethylaminopropyl)-1-[4-(5-fluoro-2-methy...)
Show SMILES CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 |t:9|
Show InChI InChI=1S/C35H39FN4O3/c1-24-9-12-28(36)21-30(24)33(42)38-29-13-10-25(11-14-29)34(43)40-20-17-35(22-26-7-4-5-8-31(26)40)16-15-27(23-35)32(41)37-18-6-19-39(2)3/h4-5,7-14,21,23H,6,15-20,22H2,1-3H3,(H,37,41)(H,38,42)
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n/an/a 31n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for accumulation of cAMP in transfected HEK293 cells expressing human vasopressin V2 receptor


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
Vasopressin V1a receptor


(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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n/an/a 33n/an/an/an/an/an/a



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
Vasopressin V2 receptor


(Homo sapiens (Human))
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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n/an/a 36n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for accumulation of cAMP in transfected HEK293 cells expressing human vasopressin V2 receptor


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147229
PNG
(3'N-(2-hexahydro-1-pyridinylethyl)-1-[4-(5-fluoro-...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCCC2)Cc2ccccc12 |c:27|
Show InChI InChI=1S/C37H41FN4O3/c1-26-9-12-30(38)23-32(26)35(44)40-31-13-10-27(11-14-31)36(45)42-21-17-37(24-28-7-3-4-8-33(28)42)16-15-29(25-37)34(43)39-18-22-41-19-5-2-6-20-41/h3-4,7-14,23,25H,2,5-6,15-22,24H2,1H3,(H,39,43)(H,40,44)
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n/an/a 39n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V2 receptor


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147232
PNG
(3'N-(2-tetrahydro-1H-1-pyrrolylethyl)-1-[4-(5-fluo...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCC2)Cc2ccccc12 |c:27|
Show InChI InChI=1S/C36H39FN4O3/c1-25-8-11-29(37)22-31(25)34(43)39-30-12-9-26(10-13-30)35(44)41-20-16-36(23-27-6-2-3-7-32(27)41)15-14-28(24-36)33(42)38-17-21-40-18-4-5-19-40/h2-3,6-13,22,24H,4-5,14-21,23H2,1H3,(H,38,42)(H,39,43)
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n/an/a 39n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V2 receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
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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n/an/a 45n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147232
PNG
(3'N-(2-tetrahydro-1H-1-pyrrolylethyl)-1-[4-(5-fluo...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCC2)Cc2ccccc12 |c:27|
Show InChI InChI=1S/C36H39FN4O3/c1-25-8-11-29(37)22-31(25)34(43)39-30-12-9-26(10-13-30)35(44)41-20-16-36(23-27-6-2-3-7-32(27)41)15-14-28(24-36)33(42)38-17-21-40-18-4-5-19-40/h2-3,6-13,22,24H,4-5,14-21,23H2,1H3,(H,38,42)(H,39,43)
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n/an/a 48n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for accumulation of cAMP in transfected HEK293 cells expressing human vasopressin V2 receptor


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147229
PNG
(3'N-(2-hexahydro-1-pyridinylethyl)-1-[4-(5-fluoro-...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCCC2)Cc2ccccc12 |c:27|
Show InChI InChI=1S/C37H41FN4O3/c1-26-9-12-30(38)23-32(26)35(44)40-31-13-10-27(11-14-31)36(45)42-21-17-37(24-28-7-3-4-8-33(28)42)16-15-29(25-37)34(43)39-18-22-41-19-5-2-6-20-41/h3-4,7-14,23,25H,2,5-6,15-22,24H2,1H3,(H,39,43)(H,40,44)
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n/an/a 48n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for accumulation of cAMP in transfected HEK293 cells expressing human vasopressin V2 receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147229
PNG
(3'N-(2-hexahydro-1-pyridinylethyl)-1-[4-(5-fluoro-...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCCC2)Cc2ccccc12 |c:27|
Show InChI InChI=1S/C37H41FN4O3/c1-26-9-12-30(38)23-32(26)35(44)40-31-13-10-27(11-14-31)36(45)42-21-17-37(24-28-7-3-4-8-33(28)42)16-15-29(25-37)34(43)39-18-22-41-19-5-2-6-20-41/h3-4,7-14,23,25H,2,5-6,15-22,24H2,1H3,(H,39,43)(H,40,44)
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n/an/a 48n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147219
PNG
(3'N-(2-dimethylaminoethyl)-1-[4-(5-fluoro-2-methyl...)
Show SMILES CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 |t:8|
Show InChI InChI=1S/C34H37FN4O3/c1-23-8-11-27(35)20-29(23)32(41)37-28-12-9-24(10-13-28)33(42)39-18-16-34(21-25-6-4-5-7-30(25)39)15-14-26(22-34)31(40)36-17-19-38(2)3/h4-13,20,22H,14-19,21H2,1-3H3,(H,36,40)(H,37,41)
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n/an/a 65n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147229
PNG
(3'N-(2-hexahydro-1-pyridinylethyl)-1-[4-(5-fluoro-...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCCC2)Cc2ccccc12 |c:27|
Show InChI InChI=1S/C37H41FN4O3/c1-26-9-12-30(38)23-32(26)35(44)40-31-13-10-27(11-14-31)36(45)42-21-17-37(24-28-7-3-4-8-33(28)42)16-15-29(25-37)34(43)39-18-22-41-19-5-2-6-20-41/h3-4,7-14,23,25H,2,5-6,15-22,24H2,1H3,(H,39,43)(H,40,44)
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n/an/a 71n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK- 293 cells transfected to express human vasopressin V1a receptor (Compound 7o)


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50366914
PNG
(CHEMBL1788221)
Show SMILES CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 |r,t:8|
Show InChI InChI=1S/C33H35FN4O3/c1-37(2)20-18-35-30(39)25-15-16-33(22-25)17-19-38(29-10-6-3-7-24(29)21-33)32(41)23-11-13-26(14-12-23)36-31(40)27-8-4-5-9-28(27)34/h3-14,22H,15-21H2,1-2H3,(H,35,39)(H,36,40)/t33-/m0/s1
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n/an/a 78n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147231
PNG
(2-[1-[4-(2-phenylphenylcarboxamido)benzoyl]spiro[2...)
Show SMILES OC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |t:7|
Show InChI InChI=1S/C37H33N3O5/c41-33(42)24-38-34(43)28-18-19-37(23-28)20-21-40(32-13-7-4-10-27(32)22-37)36(45)26-14-16-29(17-15-26)39-35(44)31-12-6-5-11-30(31)25-8-2-1-3-9-25/h1-17,23H,18-22,24H2,(H,38,43)(H,39,44)(H,41,42)
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n/an/a 78n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147223
PNG
(3'N-(2-hydroxyethyl)-1-[4-(2-fluorophenylcarboxami...)
Show SMILES OCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 |t:6|
Show InChI InChI=1S/C31H30FN3O4/c32-26-7-3-2-6-25(26)29(38)34-24-11-9-21(10-12-24)30(39)35-17-15-31(19-22-5-1-4-8-27(22)35)14-13-23(20-31)28(37)33-16-18-36/h1-12,20,36H,13-19H2,(H,33,37)(H,34,38)
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n/an/a 99n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147224
PNG
(3'N-(2-dimethylaminoethyl)-1-[4-(2-phenylphenylcar...)
Show SMILES CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |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)
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n/an/a 100n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for accumulation of cAMP in transfected HEK293 cells expressing human vasopressin V2 receptor


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
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50147219
PNG
(3'N-(2-dimethylaminoethyl)-1-[4-(5-fluoro-2-methyl...)
Show SMILES CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 |t:8|
Show InChI InChI=1S/C34H37FN4O3/c1-23-8-11-27(35)20-29(23)32(41)37-28-12-9-24(10-13-28)33(42)39-18-16-34(21-25-6-4-5-7-30(25)39)15-14-26(22-34)31(40)36-17-19-38(2)3/h4-13,20,22H,14-19,21H2,1-3H3,(H,36,40)(H,37,41)
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n/an/a 105n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for accumulation of cAMP in transfected HEK293 cells expressing human vasopressin V2 receptor


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
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