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Compile Data Set for Download or QSAR

Found 310 hits with Last Name = 'chen' and Initial = 'rh'   
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 V2 receptor


(Homo sapiens (Human))
BDBM50146577
PNG
(CHEMBL102311 | spirobenzoxazines analogues)
Show SMILES COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:28|
Show InChI InChI=1S/C30H30N2O3/c1-35-27-12-6-4-10-25(27)28(33)31-24-15-13-22(14-16-24)29(34)32-20-19-30(17-7-2-8-18-30)21-23-9-3-5-11-26(23)32/h3-7,9-17H,2,8,18-21H2,1H3,(H,31,33)
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n/an/a 0.200n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against [3H]-AVP binding to cloned human vasopressin receptor


Bioorg Med Chem Lett 14: 2987-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.103
BindingDB Entry DOI: 10.7270/Q2BK1BSD
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50225162
PNG
((4R)-N-[2-(dimethylamino)ethyl]-1-({4-[(2-phenylbe...)
Show SMILES CN(C)CCNC(=O)C1=C[C@@]2(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)/t39-/m0/s1
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-Arg-vasopressin from human recombinant vasopressin V1a receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6623-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.059
BindingDB Entry DOI: 10.7270/Q2T72H5P
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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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))
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))
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))
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))
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))
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))
BDBM50225163
PNG
((4R)-1-({4-[(2-chloro-5-fluorobenzene)amido]-3-met...)
Show SMILES COc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CC[C@@]2(CCC(=C2)C(O)=O)Cc2ccccc12 |c:29|
Show InChI InChI=1S/C30H26ClFN2O5/c1-39-26-14-18(6-9-24(26)33-27(35)22-15-21(32)7-8-23(22)31)28(36)34-13-12-30(11-10-20(17-30)29(37)38)16-19-4-2-3-5-25(19)34/h2-9,14-15,17H,10-13,16H2,1H3,(H,33,35)(H,37,38)/t30-/m0/s1
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-Arg-vasopressin from human recombinant vasopressin V1a receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6623-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.059
BindingDB Entry DOI: 10.7270/Q2T72H5P
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))
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))
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 V2 receptor


(Homo sapiens (Human))
BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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n/an/a 5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-Arg-vasopressin from human recombinant vasopressin V2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6623-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.059
BindingDB Entry DOI: 10.7270/Q2T72H5P
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))
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 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 V2 receptor


(Homo sapiens (Human))
BDBM50135417
PNG
(((R)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2...)
Show SMILES OC(=O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)/t24-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced calcium immobilization in human V1a receptor expressing cells


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135413
PNG
((5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2,3,4...)
Show SMILES OC(=O)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)
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n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
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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n/an/a 7n/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))
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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n/an/a 7n/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))
BDBM50135420
PNG
(((S)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2...)
Show SMILES OC(=O)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)/t24-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
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 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 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 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 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 V2 receptor


(Homo sapiens (Human))
BDBM50225162
PNG
((4R)-N-[2-(dimethylamino)ethyl]-1-({4-[(2-phenylbe...)
Show SMILES CN(C)CCNC(=O)C1=C[C@@]2(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)/t39-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-Arg-vasopressin from human recombinant vasopressin V2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6623-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.059
BindingDB Entry DOI: 10.7270/Q2T72H5P
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50225166
PNG
((4R)-1-({4-[(2-chloro-5-fluorobenzene)amido]-3-eth...)
Show SMILES CCOc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CC[C@@]2(CCC(=C2)C(O)=O)Cc2ccccc12 |c:30|
Show InChI InChI=1S/C31H28ClFN2O5/c1-2-40-27-15-19(7-10-25(27)34-28(36)23-16-22(33)8-9-24(23)32)29(37)35-14-13-31(12-11-21(18-31)30(38)39)17-20-5-3-4-6-26(20)35/h3-10,15-16,18H,2,11-14,17H2,1H3,(H,34,36)(H,38,39)/t31-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-Arg-vasopressin from human recombinant vasopressin V1a receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6623-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.059
BindingDB Entry DOI: 10.7270/Q2T72H5P
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135414
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2-hydroxy-ethyl)...)
Show SMILES OCCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H28N2O3S/c34-21-19-25-18-20-33(28-12-6-7-13-29(28)37-25)31(36)23-14-16-24(17-15-23)32-30(35)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25,34H,18-21H2,(H,32,35)
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50146578
PNG
(CHEMBL103406 | spirobenzoxazines analogues)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:28|
Show InChI InChI=1S/C30H29FN2O2/c1-21-9-12-24(31)19-26(21)28(34)32-25-13-10-22(11-14-25)29(35)33-18-17-30(15-5-2-6-16-30)20-23-7-3-4-8-27(23)33/h3-5,7-15,19H,2,6,16-18,20H2,1H3,(H,32,34)
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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
In vitro inhibitory concentration against [3H]-AVP binding to cloned human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 2987-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.103
BindingDB Entry DOI: 10.7270/Q2BK1BSD
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))
BDBM50225167
PNG
(CHEMBL250346 | N-(4-{[3'-(hydroxymethyl)-1,2,3,5-t...)
Show SMILES OCC1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |w:4.3,t:2|
Show InChI InChI=1S/C35H32N2O3/c38-24-25-18-19-35(22-25)20-21-37(32-13-7-4-10-28(32)23-35)34(40)27-14-16-29(17-15-27)36-33(39)31-12-6-5-11-30(31)26-8-2-1-3-9-26/h1-17,22,38H,18-21,23-24H2,(H,36,39)
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n/an/a 9n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-Arg-vasopressin from human recombinant vasopressin V1a receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6623-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.059
BindingDB Entry DOI: 10.7270/Q2T72H5P
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50225167
PNG
(CHEMBL250346 | N-(4-{[3'-(hydroxymethyl)-1,2,3,5-t...)
Show SMILES OCC1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |w:4.3,t:2|
Show InChI InChI=1S/C35H32N2O3/c38-24-25-18-19-35(22-25)20-21-37(32-13-7-4-10-28(32)23-35)34(40)27-14-16-29(17-15-27)36-33(39)31-12-6-5-11-30(31)26-8-2-1-3-9-26/h1-17,22,38H,18-21,23-24H2,(H,36,39)
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n/an/a 9n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a receptor expressed in HEK293 cells assessed as inhibition of Arg-vasopressin-induced intracllular calciu...


Bioorg Med Chem Lett 17: 6623-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.059
BindingDB Entry DOI: 10.7270/Q2T72H5P
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50146565
PNG
(CHEMBL101157 | spirobenzoxazines analogues)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:27|
Show InChI InChI=1S/C29H27FN2O2/c30-25-10-4-3-9-24(25)27(33)31-23-14-12-21(13-15-23)28(34)32-19-18-29(16-6-1-7-17-29)20-22-8-2-5-11-26(22)32/h2-6,8-16H,1,7,17-20H2,(H,31,33)
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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
In vitro inhibitory concentration against [3H]-AVP binding to cloned human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 2987-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.103
BindingDB Entry DOI: 10.7270/Q2BK1BSD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50076666
PNG
(CHEMBL175153 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C23H23N3O3/c1-16-5-8-19(9-6-16)23-15-20(10-7-17(2)26(28)18(3)27)24-25(23)21-11-13-22(29-4)14-12-21/h5-6,8-9,11-15,17,28H,1-4H3
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n/an/a 10n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclooxygenase (COX) using broken rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
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 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
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50076661
PNG
(CHEMBL177727 | N-{1-Ethyl-3-[1-(4-methoxy-phenyl)-...)
Show SMILES CCC(C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1)N(O)C(C)=O
Show InChI InChI=1S/C24H25N3O3/c1-5-21(27(29)18(3)28)11-10-20-16-24(19-8-6-17(2)7-9-19)26(25-20)22-12-14-23(30-4)15-13-22/h6-9,12-16,21,29H,5H2,1-4H3
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n/an/a 10n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclooxygenase (COX) using broken rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50146566
PNG
(CHEMBL440147 | spirobenzoxazines analogues)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:27|
Show InChI InChI=1S/C30H30N2O2/c1-22-9-3-5-11-26(22)28(33)31-25-15-13-23(14-16-25)29(34)32-20-19-30(17-7-2-8-18-30)21-24-10-4-6-12-27(24)32/h3-7,9-17H,2,8,18-21H2,1H3,(H,31,33)
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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
In vitro inhibitory concentration against [3H]-AVP binding to cloned human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 2987-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.103
BindingDB Entry DOI: 10.7270/Q2BK1BSD
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50076649
PNG
(CHEMBL369848 | N-{1-methyl-3-[1-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(N)=O
Show InChI InChI=1S/C21H19ClN4O3/c1-14(26(28)21(23)27)3-8-17-13-20(15-4-6-16(22)7-5-15)25(24-17)18-9-11-19(29-2)12-10-18/h4-7,9-14,28H,1-2H3,(H2,23,27)
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n/an/a 10n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase(5-LO) using broken rat barophilic leukemia cells (RBL-1)


Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50146572
PNG
(CHEMBL100402 | spirobenzoxazines analogues)
Show SMILES Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:27|
Show InChI InChI=1S/C29H29N3O2/c30-24-12-8-21(9-13-24)27(33)31-25-14-10-22(11-15-25)28(34)32-19-18-29(16-4-1-5-17-29)20-23-6-2-3-7-26(23)32/h2-4,6-16H,1,5,17-20,30H2,(H,31,33)
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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
In vitro inhibitory concentration against [3H]-AVP binding to cloned human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 2987-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.103
BindingDB Entry DOI: 10.7270/Q2BK1BSD
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))
BDBM50225159
PNG
((4R)-1-({4-[(2-chloro-5-fluorobenzene)amido]-3-met...)
Show SMILES COc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CC[C@@]2(CCC(=C2)C(=O)NS(N)(=O)=O)Cc2ccccc12 |c:29|
Show InChI InChI=1S/C30H28ClFN4O6S/c1-42-26-14-18(6-9-24(26)34-28(38)22-15-21(32)7-8-23(22)31)29(39)36-13-12-30(16-19-4-2-3-5-25(19)36)11-10-20(17-30)27(37)35-43(33,40)41/h2-9,14-15,17H,10-13,16H2,1H3,(H,34,38)(H,35,37)(H2,33,40,41)/t30-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as inhibition of Arg-vasopressin-induced cAMP levels


Bioorg Med Chem Lett 17: 6623-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.059
BindingDB Entry DOI: 10.7270/Q2T72H5P
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))
BDBM50135419
PNG
(2-(5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2,3...)
Show SMILES OS(=O)(=O)CCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H28N2O5S2/c34-30(27-11-5-4-10-26(27)22-8-2-1-3-9-22)32-24-16-14-23(15-17-24)31(35)33-20-18-25(19-21-40(36,37)38)39-29-13-7-6-12-28(29)33/h1-17,25H,18-21H2,(H,32,34)(H,36,37,38)
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n/an/a 12n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50146562
PNG
(CHEMBL100893 | spirobenzoxazines analogues)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:27|
Show InChI InChI=1S/C29H27ClN2O2/c30-25-10-4-3-9-24(25)27(33)31-23-14-12-21(13-15-23)28(34)32-19-18-29(16-6-1-7-17-29)20-22-8-2-5-11-26(22)32/h2-6,8-16H,1,7,17-20H2,(H,31,33)
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n/an/a 12n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against [3H]-AVP binding to cloned human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 2987-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.103
BindingDB Entry DOI: 10.7270/Q2BK1BSD
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50225173
PNG
((4R)-1-({4-[(2-chloro-5-fluorobenzene)amido]phenyl...)
Show SMILES OC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 |t:3|
Show InChI InChI=1S/C29H24ClFN2O4/c30-24-10-7-21(31)15-23(24)26(34)32-22-8-5-18(6-9-22)27(35)33-14-13-29(12-11-20(17-29)28(36)37)16-19-3-1-2-4-25(19)33/h1-10,15,17H,11-14,16H2,(H,32,34)(H,36,37)/t29-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-Arg-vasopressin from human recombinant vasopressin V1a receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6623-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.059
BindingDB Entry DOI: 10.7270/Q2T72H5P
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50225168
PNG
(1-({4-[(2-phenylbenzene)amido]phenyl}carbonyl)-1,2...)
Show SMILES OC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |w:5.4,t:3|
Show InChI InChI=1S/C35H30N2O4/c38-32(30-12-6-5-11-29(30)24-8-2-1-3-9-24)36-28-16-14-25(15-17-28)33(39)37-21-20-35(19-18-27(23-35)34(40)41)22-26-10-4-7-13-31(26)37/h1-17,23H,18-22H2,(H,36,38)(H,40,41)
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n/an/a 14n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-Arg-vasopressin from human recombinant vasopressin V2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6623-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.059
BindingDB Entry DOI: 10.7270/Q2T72H5P
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135418
PNG
(3-((S)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}...)
Show SMILES OC(=O)CC[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C32H28N2O4S/c35-30(36)19-18-25-20-21-34(28-12-6-7-13-29(28)39-25)32(38)23-14-16-24(17-15-23)33-31(37)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25H,18-21H2,(H,33,37)(H,35,36)/t25-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50225172
PNG
(CHEMBL251771 | methyl 1-({4-[(2-fluorobenzene)amid...)
Show SMILES COC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 |w:6.5,t:4|
Show InChI InChI=1S/C30H27FN2O4/c1-37-29(36)22-14-15-30(19-22)16-17-33(26-9-5-2-6-21(26)18-30)28(35)20-10-12-23(13-11-20)32-27(34)24-7-3-4-8-25(24)31/h2-13,19H,14-18H2,1H3,(H,32,34)
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n/an/a 15n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-Arg-vasopressin from human recombinant vasopressin V1a receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6623-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.059
BindingDB Entry DOI: 10.7270/Q2T72H5P
More data for this
Ligand-Target Pair
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