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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50013847   
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))
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 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 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 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 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 V2 receptor


(Homo sapiens (Human))
BDBM50135415
PNG
(3-((R)-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-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced cAMP accumulation in human V2 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))
BDBM50135423
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2-tetrazol-1-yl-...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCC(CCn2cnnn2)Sc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C32H28N6O2S/c39-31(28-11-5-4-10-27(28)23-8-2-1-3-9-23)34-25-16-14-24(15-17-25)32(40)38-21-19-26(18-20-37-22-33-35-36-37)41-30-13-7-6-12-29(30)38/h1-17,22,26H,18-21H2,(H,34,39)
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n/an/a 20n/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 at 0.2 uM


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))
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 30n/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))
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 30n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced cAMP accumulation in human V2 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))
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 36n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced cAMP accumulation in human V2 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 40n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced cAMP accumulation in human V2 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))
BDBM50135415
PNG
(3-((R)-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-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced cAMP accumulation in human V2 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))
BDBM50135416
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2-fluoro-ethyl)-...)
Show SMILES FCCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H27FN2O2S/c32-20-18-25-19-21-34(28-12-6-7-13-29(28)37-25)31(36)23-14-16-24(17-15-23)33-30(35)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25H,18-21H2,(H,33,35)
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n/an/a 85n/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))
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 97n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a receptor


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))
BDBM50135422
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2,2-difluoro-eth...)
Show SMILES FC(F)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26F2N2O2S/c32-29(33)20-24-18-19-35(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)34-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24,29H,18-20H2,(H,34,36)
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n/an/a 100n/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 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 100n/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 V1a 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 140n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a 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))
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 150n/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))
BDBM50135422
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2,2-difluoro-eth...)
Show SMILES FC(F)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26F2N2O2S/c32-29(33)20-24-18-19-35(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)34-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24,29H,18-20H2,(H,34,36)
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n/an/a 160n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a 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))
BDBM50135416
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2-fluoro-ethyl)-...)
Show SMILES FCCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H27FN2O2S/c32-20-18-25-19-21-34(28-12-6-7-13-29(28)37-25)31(36)23-14-16-24(17-15-23)33-30(35)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25H,18-21H2,(H,33,35)
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n/an/a 180n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a 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))
BDBM50135415
PNG
(3-((R)-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-/m1/s1
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n/an/a 314n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a receptor


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))
BDBM50135421
PNG
(Biphenyl-2-carboxylic acid [4-(2-dimethylaminometh...)
Show SMILES CN(C)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C32H31N3O2S/c1-34(2)22-26-20-21-35(29-14-8-9-15-30(29)38-26)32(37)24-16-18-25(19-17-24)33-31(36)28-13-7-6-12-27(28)23-10-4-3-5-11-23/h3-19,26H,20-22H2,1-2H3,(H,33,36)
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n/an/a 430n/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))
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 440n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a 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))
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 729n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a 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))
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 740n/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))
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 1.14E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a 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))
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 1.15E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a 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))
BDBM50135421
PNG
(Biphenyl-2-carboxylic acid [4-(2-dimethylaminometh...)
Show SMILES CN(C)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C32H31N3O2S/c1-34(2)22-26-20-21-35(29-14-8-9-15-30(29)38-26)32(37)24-16-18-25(19-17-24)33-31(36)28-13-7-6-12-27(28)23-10-4-3-5-11-23/h3-19,26H,20-22H2,1-2H3,(H,33,36)
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n/an/a 1.20E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a 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))
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 1.76E+3n/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 V1a 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 2.01E+3n/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 V1a 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 2.13E+3n/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 V1a receptor


(Homo sapiens (Human))
BDBM50135415
PNG
(3-((R)-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-/m1/s1
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n/an/a 4.63E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced cAMP accumulation in human V2 receptor expressing cells


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


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