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PubMed code 16153837

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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))
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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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human V2 receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50173291
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H22N2O/c1-19-8-10-20(11-9-19)21-12-14-22(15-13-21)26(29)28-18-24-6-4-16-27(24)17-23-5-2-3-7-25(23)28/h2-16H,17-18H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-AVP binding to human vasopressin V1a receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50173297
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES O=C(N1Cc2cccn2Cc2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H20N2O/c28-25(21-14-12-20(13-15-21)19-7-2-1-3-8-19)27-18-23-10-6-16-26(23)17-22-9-4-5-11-24(22)27/h1-16H,17-18H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-AVP binding to human vasopressin V1a receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50173296
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES CCCc1ccc(cc1)-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C28H26N2O/c1-2-6-21-10-12-22(13-11-21)23-14-16-24(17-15-23)28(31)30-20-26-8-5-18-29(26)19-25-7-3-4-9-27(25)30/h3-5,7-18H,2,6,19-20H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-AVP binding to human vasopressin V1a receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50173294
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES O=C(N1Cc2cccn2Cc2ccccc12)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H18N2OS/c26-23(18-11-9-17(10-12-18)22-8-4-14-27-22)25-16-20-6-3-13-24(20)15-19-5-1-2-7-21(19)25/h1-14H,15-16H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-AVP binding to human vasopressin V1a receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50173298
PNG
(Biphenyl-4-yl-(3-dimethylaminomethyl-5H,11H-benzo[...)
Show SMILES CN(C)Cc1ccc2CN(C(=O)c3ccc(cc3)-c3ccccc3)c3ccccc3Cn12
Show InChI InChI=1S/C28H27N3O/c1-29(2)19-25-16-17-26-20-31(27-11-7-6-10-24(27)18-30(25)26)28(32)23-14-12-22(13-15-23)21-8-4-3-5-9-21/h3-17H,18-20H2,1-2H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-AVP binding to human vasopressin V1a receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50173293
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H22N2O3S/c1-19-8-12-23(13-9-19)32(30,31)24-14-10-20(11-15-24)26(29)28-18-22-6-4-16-27(22)17-21-5-2-3-7-25(21)28/h2-16H,17-18H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-AVP binding to human vasopressin V1a receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50173296
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES CCCc1ccc(cc1)-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C28H26N2O/c1-2-6-21-10-12-22(13-11-21)23-14-16-24(17-15-23)28(31)30-20-26-8-5-18-29(26)19-25-7-3-4-9-27(25)30/h3-5,7-18H,2,6,19-20H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human V2 receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50173292
PNG
((3-Dimethylaminomethyl-5H,11H-benzo[e]pyrrolo[1,2-...)
Show SMILES CN(C)Cc1ccc2CN(C(=O)c3ccc(cc3)-c3cccs3)c3ccccc3Cn12
Show InChI InChI=1S/C26H25N3OS/c1-27(2)17-22-13-14-23-18-29(24-7-4-3-6-21(24)16-28(22)23)26(30)20-11-9-19(10-12-20)25-8-5-15-31-25/h3-15H,16-18H2,1-2H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-AVP binding to human vasopressin V1a receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50173300
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C25H19N3O3/c29-25(19-13-11-18(12-14-19)22-8-2-4-10-24(22)28(30)31)27-17-21-7-5-15-26(21)16-20-6-1-3-9-23(20)27/h1-15H,16-17H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-AVP binding to human vasopressin V1a receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50173299
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Fc1cc(F)cc(c1)-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C25H18F2N2O/c26-21-12-20(13-22(27)14-21)17-7-9-18(10-8-17)25(30)29-16-23-5-3-11-28(23)15-19-4-1-2-6-24(19)29/h1-14H,15-16H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-AVP binding to human vasopressin V1a receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50173295
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccccc1-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H22N2O/c1-19-7-2-4-10-24(19)20-12-14-21(15-13-20)26(29)28-18-23-9-6-16-27(23)17-22-8-3-5-11-25(22)28/h2-16H,17-18H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-AVP binding to human vasopressin V1a receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50173300
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C25H19N3O3/c29-25(19-13-11-18(12-14-19)22-8-2-4-10-24(22)28(30)31)27-17-21-7-5-15-26(21)16-20-6-1-3-9-23(20)27/h1-15H,16-17H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human V2 receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V1a 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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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-AVP binding to human vasopressin V1a receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50173301
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)cc1
Show InChI InChI=1S/C26H22N2O2/c1-19-8-12-23(13-9-19)30-24-14-10-20(11-15-24)26(29)28-18-22-6-4-16-27(22)17-21-5-2-3-7-25(21)28/h2-16H,17-18H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-AVP binding to human vasopressin V1a receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50173291
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H22N2O/c1-19-8-10-20(11-9-19)21-12-14-22(15-13-21)26(29)28-18-24-6-4-16-27(24)17-23-5-2-3-7-25(23)28/h2-16H,17-18H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human V2 receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50173297
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES O=C(N1Cc2cccn2Cc2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H20N2O/c28-25(21-14-12-20(13-15-21)19-7-2-1-3-8-19)27-18-23-10-6-16-26(23)17-22-9-4-5-11-24(22)27/h1-16H,17-18H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human V2 receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50173294
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES O=C(N1Cc2cccn2Cc2ccccc12)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H18N2OS/c26-23(18-11-9-17(10-12-18)22-8-4-14-27-22)25-16-20-6-3-13-24(20)15-19-5-1-2-7-21(19)25/h1-14H,15-16H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human V2 receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50173295
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccccc1-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H22N2O/c1-19-7-2-4-10-24(19)20-12-14-21(15-13-20)26(29)28-18-23-9-6-16-27(23)17-22-8-3-5-11-25(22)28/h2-16H,17-18H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human V2 receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50173299
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Fc1cc(F)cc(c1)-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C25H18F2N2O/c26-21-12-20(13-22(27)14-21)17-7-9-18(10-8-17)25(30)29-16-23-5-3-11-28(23)15-19-4-1-2-6-24(19)29/h1-14H,15-16H2
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human V2 receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50173292
PNG
((3-Dimethylaminomethyl-5H,11H-benzo[e]pyrrolo[1,2-...)
Show SMILES CN(C)Cc1ccc2CN(C(=O)c3ccc(cc3)-c3cccs3)c3ccccc3Cn12
Show InChI InChI=1S/C26H25N3OS/c1-27(2)17-22-13-14-23-18-29(24-7-4-3-6-21(24)16-28(22)23)26(30)20-11-9-19(10-12-20)25-8-5-15-31-25/h3-15H,16-18H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human V2 receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%