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4 similar compounds to monomer 50307117

Compile data set for download or QSAR
Wt: 370.4
BDBM50052928
Wt: 384.4
BDBM50052954
Wt: 266.3
BDBM50094081
Wt: 512.6
BDBM50146573

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50052928,50052954,50094081,50146573   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50052954
PNG
(2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)
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2.68n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins


J Med Chem 55: 8588-602 (2012)


Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50052954
PNG
(2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)
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7.20n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to vasopressin V2 receptor


J Med Chem 55: 8588-602 (2012)


Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50052954
PNG
(2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)
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8.10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to vasopressin V1a receptor


J Med Chem 55: 8588-602 (2012)


Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50052954
PNG
(2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)
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30n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to oxytocin receptor


J Med Chem 55: 8588-602 (2012)


Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50094081
PNG
((4-Amino-phenyl)-(2,3,4,5-tetrahydro-benzo[b]azepi...)
Show SMILES Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C17H18N2O/c18-15-10-8-14(9-11-15)17(20)19-12-4-3-6-13-5-1-2-7-16(13)19/h1-2,5,7-11H,3-4,6,12,18H2
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n/an/a 180n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


Article DOI: 10.1021/jm000108p
BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50146573
PNG
(CHEMBL101678 | spirobenzoxazines analogues)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C35H32N2O2/c38-33(31-15-7-6-14-30(31)26-11-3-1-4-12-26)36-29-19-17-27(18-20-29)34(39)37-24-23-35(21-9-2-10-22-35)25-28-13-5-8-16-32(28)37/h1,3-9,11-21H,2,10,22-25H2,(H,36,38)
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n/an/a 26n/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


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



Otsuka Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney


J Med Chem 39: 3547-55 (1996)


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


(RAT)
BDBM50052928
PNG
(CHEMBL333201 | N-[4-(2,3,4,5-Tetrahydro-benzo[b]az...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C24H22N2O2/c27-23(19-10-2-1-3-11-19)25-21-15-13-20(14-16-21)24(28)26-17-7-6-9-18-8-4-5-12-22(18)26/h1-5,8,10-16H,6-7,9,17H2,(H,25,27)
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n/an/a 95n/an/an/an/an/an/a



Otsuka Pharmaceutical Co.

Curated by ChEMBL


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


J Med Chem 39: 3547-55 (1996)


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


(RAT)
BDBM50052954
PNG
(2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)
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n/an/a 56n/an/an/an/an/an/a



Otsuka Pharmaceutical Co.

Curated by ChEMBL


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


J Med Chem 39: 3547-55 (1996)


Article DOI: 10.1021/jm960133o
BindingDB Entry DOI: 10.7270/Q2DZ07CT
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50052928
PNG
(CHEMBL333201 | N-[4-(2,3,4,5-Tetrahydro-benzo[b]az...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C24H22N2O2/c27-23(19-10-2-1-3-11-19)25-21-15-13-20(14-16-21)24(28)26-17-7-6-9-18-8-4-5-12-22(18)26/h1-5,8,10-16H,6-7,9,17H2,(H,25,27)
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n/an/a 70n/an/an/an/an/an/a



Otsuka Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney


J Med Chem 39: 3547-55 (1996)


Article DOI: 10.1021/jm960133o
BindingDB Entry DOI: 10.7270/Q2DZ07CT
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146573
PNG
(CHEMBL101678 | spirobenzoxazines analogues)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C35H32N2O2/c38-33(31-15-7-6-14-30(31)26-11-3-1-4-12-26)36-29-19-17-27(18-20-29)34(39)37-24-23-35(21-9-2-10-22-35)25-28-13-5-8-16-32(28)37/h1,3-9,11-21H,2,10,22-25H2,(H,36,38)
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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
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