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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50015208   
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))
BDBM50583877
PNG
(CHEMBL5070261)
Show SMILES OC1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,wD:10.13,(84.69,-14.49,;83.74,-13.39,;84.35,-12.06,;83.71,-10.78,;84.49,-9.44,;83.46,-8.29,;82.05,-8.91,;80.71,-8.14,;79.38,-8.9,;78.04,-8.14,;78.04,-6.6,;79.38,-5.81,;80.71,-6.6,;76.69,-5.82,;75.36,-6.6,;74.02,-5.82,;72.68,-6.6,;72.68,-8.15,;74.04,-8.92,;75.37,-8.14,;82.19,-10.46,;81.05,-11.4,;79.72,-10.7,;78.44,-11.49,;78.5,-13,;77.18,-13.83,;79.83,-13.71,;81.1,-12.91,;82.34,-13.81,)|
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583878
PNG
(CHEMBL5074709)
Show SMILES O[C@@H]1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,1.0,wD:10.13,(13.29,-32.25,;12.34,-31.15,;12.94,-29.82,;12.31,-28.53,;13.09,-27.19,;12.06,-26.04,;10.65,-26.67,;9.3,-25.9,;7.97,-26.66,;6.64,-25.9,;6.64,-24.35,;7.97,-23.57,;9.3,-24.35,;5.29,-23.58,;3.96,-24.36,;2.61,-23.58,;1.27,-24.36,;1.28,-25.91,;2.63,-26.67,;3.97,-25.9,;10.79,-28.21,;9.65,-29.16,;8.32,-28.45,;7.04,-29.24,;7.09,-30.76,;5.78,-31.58,;8.42,-31.46,;9.69,-30.66,;10.94,-31.56,)|
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583879
PNG
(CHEMBL5070075)
Show SMILES O[C@H]1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,wD:10.13,1.0,(28.94,-32.53,;27.98,-31.43,;28.59,-30.1,;27.96,-28.82,;28.74,-27.48,;27.7,-26.33,;26.29,-26.96,;24.95,-26.18,;23.62,-26.95,;22.28,-26.18,;22.28,-24.64,;23.62,-23.85,;24.95,-24.64,;20.94,-23.86,;19.61,-24.64,;18.26,-23.87,;16.92,-24.65,;16.93,-26.19,;18.28,-26.96,;19.61,-26.18,;26.44,-28.5,;25.29,-29.44,;23.96,-28.74,;22.69,-29.53,;22.74,-31.04,;21.43,-31.87,;24.07,-31.75,;25.34,-30.95,;26.58,-31.85,)|
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583881
PNG
(CHEMBL5081323)
Show SMILES Cc1ccc-2c(CC(O)Cc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n-23)c1 |r,wU:14.13,wD:17.20,(55.33,-32.61,;56.65,-31.79,;56.59,-30.27,;57.87,-29.48,;59.2,-30.19,;59.25,-31.7,;60.49,-32.59,;61.89,-32.18,;62.84,-33.28,;62.5,-30.85,;61.86,-29.57,;62.64,-28.22,;61.61,-27.07,;60.2,-27.7,;58.86,-26.93,;57.53,-27.69,;56.19,-26.93,;56.19,-25.38,;57.53,-24.6,;58.86,-25.38,;54.84,-24.61,;53.51,-25.39,;52.17,-24.61,;50.83,-25.39,;50.83,-26.94,;52.19,-27.7,;53.52,-26.93,;60.35,-29.24,;57.98,-32.49,)|
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50546439
PNG
(Balovaptan | RG-7314 | RO-5285119 | RO5285119 | Rg...)
Show SMILES CN1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,wD:10.13,(-.51,-6.75,;-1.47,-5.54,;-.79,-4.16,;-1.45,-2.76,;-.65,-1.45,;-1.66,-.28,;-3.08,-.88,;-4.39,-.07,;-5.74,-.79,;-7.05,.02,;-7,1.56,;-5.65,2.28,;-4.34,1.47,;-8.31,2.37,;-9.67,1.64,;-9.72,.1,;-11.08,-.63,;-12.38,.19,;-12.34,1.72,;-10.98,2.45,;-2.95,-2.41,;-4.16,-3.37,;-5.49,-2.59,;-6.83,-3.35,;-6.83,-4.89,;-8.17,-5.65,;-5.51,-5.67,;-4.17,-4.91,;-2.97,-5.87,)|
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0.700n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50546436
PNG
(CHEMBL4799793)
Show SMILES Clc1ccc-2c(CCCc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n-23)c1 |r,wU:13.12,wD:16.19,(20.56,-28.4,;21.91,-29.12,;23.23,-28.31,;24.58,-29.05,;24.62,-30.59,;23.31,-31.39,;23.13,-32.92,;24.2,-34.02,;25.73,-33.86,;26.56,-32.56,;28.09,-32.56,;28.56,-31.1,;27.32,-30.2,;27.31,-28.66,;25.98,-27.88,;25.99,-26.34,;27.34,-25.57,;28.67,-26.35,;28.66,-27.9,;27.34,-24.04,;26.01,-23.27,;26.02,-21.74,;24.69,-20.97,;23.36,-21.74,;23.36,-23.28,;24.69,-24.04,;26.07,-31.1,;21.96,-30.66,)|
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0.800n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM35723
PNG
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V2 receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354894
PNG
(CHEMBL1837037)
Show SMILES CN1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
Show InChI InChI=1S/C21H23ClN6/c1-26-13-16-12-17(22)5-6-18(16)28-20(14-26)24-25-21(28)15-7-10-27(11-8-15)19-4-2-3-9-23-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
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3.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077217
PNG
(CHEMBL3416885)
Show SMILES CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12
Show InChI InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3
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TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583883
PNG
(CHEMBL5078950)
Show SMILES Cc1cccc2C[C@H](O)Cc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n3-c12 |r,wU:14.13,7.7,wD:17.20,(52.71,-45.41,;52.72,-46.96,;51.44,-47.75,;51.5,-49.26,;52.82,-49.97,;54.1,-49.17,;55.34,-50.07,;56.74,-49.65,;57.69,-50.76,;57.34,-48.33,;56.71,-47.04,;57.49,-45.7,;56.46,-44.56,;55.04,-45.18,;53.71,-44.41,;52.37,-45.17,;51.04,-44.41,;51.04,-42.86,;52.37,-42.08,;53.71,-42.86,;49.69,-42.09,;48.36,-42.87,;47.02,-42.09,;45.68,-42.87,;45.68,-44.42,;47.04,-45.18,;48.37,-44.41,;55.19,-46.72,;54.05,-47.67,)|
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6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583883
PNG
(CHEMBL5078950)
Show SMILES Cc1cccc2C[C@H](O)Cc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n3-c12 |r,wU:14.13,7.7,wD:17.20,(52.71,-45.41,;52.72,-46.96,;51.44,-47.75,;51.5,-49.26,;52.82,-49.97,;54.1,-49.17,;55.34,-50.07,;56.74,-49.65,;57.69,-50.76,;57.34,-48.33,;56.71,-47.04,;57.49,-45.7,;56.46,-44.56,;55.04,-45.18,;53.71,-44.41,;52.37,-45.17,;51.04,-44.41,;51.04,-42.86,;52.37,-42.08,;53.71,-42.86,;49.69,-42.09,;48.36,-42.87,;47.02,-42.09,;45.68,-42.87,;45.68,-44.42,;47.04,-45.18,;48.37,-44.41,;55.19,-46.72,;54.05,-47.67,)|
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6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583880
PNG
(CHEMBL5088219)
Show SMILES Cc1cccc-2c1CC(O)Cc1nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n-21 |r,wU:15.15,wD:18.22,(40.31,-33.55,;40.25,-32,;38.92,-31.29,;38.87,-29.78,;40.15,-28.99,;41.48,-29.7,;41.52,-31.2,;42.77,-32.1,;44.17,-31.68,;45.12,-32.78,;44.77,-30.36,;44.14,-29.07,;44.92,-27.73,;43.89,-26.58,;42.48,-27.21,;41.13,-26.44,;39.8,-27.2,;38.47,-26.44,;38.47,-24.89,;39.8,-24.1,;41.13,-24.89,;37.12,-24.12,;35.79,-24.9,;34.44,-24.12,;33.1,-24.9,;33.11,-26.45,;34.46,-27.21,;35.8,-26.44,;42.62,-28.75,)|
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8.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583887
PNG
(CHEMBL5074961)
Show SMILES OC1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2cccc(Cl)c2C1 |r,wU:7.6,wD:10.13,(17.57,-27.66,;16.62,-26.56,;17.23,-25.23,;16.59,-23.95,;17.37,-22.61,;16.34,-21.46,;14.93,-22.08,;13.58,-21.31,;12.25,-22.07,;10.91,-21.31,;10.91,-19.76,;12.25,-18.98,;13.58,-19.76,;9.57,-18.99,;8.23,-19.77,;6.89,-18.99,;5.55,-19.77,;5.55,-21.32,;6.91,-22.09,;8.24,-21.31,;15.07,-23.62,;13.93,-24.57,;12.59,-23.86,;11.32,-24.66,;11.37,-26.17,;12.7,-26.88,;12.76,-28.4,;13.97,-26.08,;15.22,-26.98,)|
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583885
PNG
(CHEMBL5079921)
Show SMILES Cc1cccc2C[C@H](O)Cc3nnc(C4CCN(CC4)c4ccccc4)n3-c12 |r|
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35723
PNG
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
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32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583882
PNG
(CHEMBL5085869)
Show SMILES Cc1ccc2CC(O)Cc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n3-c2c1 |r,wU:13.12,wD:16.19,(71.9,-29.6,;73.27,-30.33,;73.32,-31.84,;74.66,-32.55,;75.92,-31.75,;77.17,-32.65,;78.57,-32.23,;79.52,-33.33,;79.18,-30.9,;78.54,-29.62,;79.32,-28.28,;78.29,-27.13,;76.88,-27.75,;75.54,-26.98,;74.21,-27.74,;72.87,-26.98,;72.87,-25.44,;74.21,-24.65,;75.54,-25.44,;71.52,-24.66,;70.19,-25.44,;68.85,-24.66,;67.51,-25.44,;67.51,-26.99,;68.86,-27.76,;70.2,-26.98,;77.02,-29.3,;75.88,-30.24,;74.55,-29.54,)|
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34n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583884
PNG
(CHEMBL5071635)
Show SMILES Cc1cccc2C[C@@H](O)Cc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n3-c12 |r,wU:14.13,wD:17.20,7.7,(31.53,-44.28,;31.54,-45.83,;30.26,-46.62,;30.32,-48.13,;31.64,-48.84,;32.92,-48.04,;34.16,-48.94,;35.56,-48.52,;36.51,-49.63,;36.16,-47.2,;35.53,-45.91,;36.31,-44.57,;35.28,-43.43,;33.87,-44.05,;32.53,-43.28,;31.2,-44.04,;29.86,-43.28,;29.86,-41.73,;31.2,-40.95,;32.53,-41.73,;28.52,-40.96,;27.19,-41.74,;25.84,-40.96,;24.5,-41.74,;24.5,-43.28,;25.86,-44.05,;27.19,-43.28,;34.01,-45.59,;32.87,-46.53,)|
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146n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583884
PNG
(CHEMBL5071635)
Show SMILES Cc1cccc2C[C@@H](O)Cc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n3-c12 |r,wU:14.13,wD:17.20,7.7,(31.53,-44.28,;31.54,-45.83,;30.26,-46.62,;30.32,-48.13,;31.64,-48.84,;32.92,-48.04,;34.16,-48.94,;35.56,-48.52,;36.51,-49.63,;36.16,-47.2,;35.53,-45.91,;36.31,-44.57,;35.28,-43.43,;33.87,-44.05,;32.53,-43.28,;31.2,-44.04,;29.86,-43.28,;29.86,-41.73,;31.2,-40.95,;32.53,-41.73,;28.52,-40.96,;27.19,-41.74,;25.84,-40.96,;24.5,-41.74,;24.5,-43.28,;25.86,-44.05,;27.19,-43.28,;34.01,-45.59,;32.87,-46.53,)|
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146n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50583879
PNG
(CHEMBL5070075)
Show SMILES O[C@H]1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,wD:10.13,1.0,(28.94,-32.53,;27.98,-31.43,;28.59,-30.1,;27.96,-28.82,;28.74,-27.48,;27.7,-26.33,;26.29,-26.96,;24.95,-26.18,;23.62,-26.95,;22.28,-26.18,;22.28,-24.64,;23.62,-23.85,;24.95,-24.64,;20.94,-23.86,;19.61,-24.64,;18.26,-23.87,;16.92,-24.65,;16.93,-26.19,;18.28,-26.96,;19.61,-26.18,;26.44,-28.5,;25.29,-29.44,;23.96,-28.74,;22.69,-29.53,;22.74,-31.04,;21.43,-31.87,;24.07,-31.75,;25.34,-30.95,;26.58,-31.85,)|
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200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V2 receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50583877
PNG
(CHEMBL5070261)
Show SMILES OC1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,wD:10.13,(84.69,-14.49,;83.74,-13.39,;84.35,-12.06,;83.71,-10.78,;84.49,-9.44,;83.46,-8.29,;82.05,-8.91,;80.71,-8.14,;79.38,-8.9,;78.04,-8.14,;78.04,-6.6,;79.38,-5.81,;80.71,-6.6,;76.69,-5.82,;75.36,-6.6,;74.02,-5.82,;72.68,-6.6,;72.68,-8.15,;74.04,-8.92,;75.37,-8.14,;82.19,-10.46,;81.05,-11.4,;79.72,-10.7,;78.44,-11.49,;78.5,-13,;77.18,-13.83,;79.83,-13.71,;81.1,-12.91,;82.34,-13.81,)|
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470n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V2 receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50546436
PNG
(CHEMBL4799793)
Show SMILES Clc1ccc-2c(CCCc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n-23)c1 |r,wU:13.12,wD:16.19,(20.56,-28.4,;21.91,-29.12,;23.23,-28.31,;24.58,-29.05,;24.62,-30.59,;23.31,-31.39,;23.13,-32.92,;24.2,-34.02,;25.73,-33.86,;26.56,-32.56,;28.09,-32.56,;28.56,-31.1,;27.32,-30.2,;27.31,-28.66,;25.98,-27.88,;25.99,-26.34,;27.34,-25.57,;28.67,-26.35,;28.66,-27.9,;27.34,-24.04,;26.01,-23.27,;26.02,-21.74,;24.69,-20.97,;23.36,-21.74,;23.36,-23.28,;24.69,-24.04,;26.07,-31.1,;21.96,-30.66,)|
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560n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V2 receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50583878
PNG
(CHEMBL5074709)
Show SMILES O[C@@H]1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,1.0,wD:10.13,(13.29,-32.25,;12.34,-31.15,;12.94,-29.82,;12.31,-28.53,;13.09,-27.19,;12.06,-26.04,;10.65,-26.67,;9.3,-25.9,;7.97,-26.66,;6.64,-25.9,;6.64,-24.35,;7.97,-23.57,;9.3,-24.35,;5.29,-23.58,;3.96,-24.36,;2.61,-23.58,;1.27,-24.36,;1.28,-25.91,;2.63,-26.67,;3.97,-25.9,;10.79,-28.21,;9.65,-29.16,;8.32,-28.45,;7.04,-29.24,;7.09,-30.76,;5.78,-31.58,;8.42,-31.46,;9.69,-30.66,;10.94,-31.56,)|
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900n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V2 receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583886
PNG
(CHEMBL5070501)
Show SMILES Cc1cccc2C[C@@H](O)Cc3nnc(C4CCN(CC4)c4ccccc4)n3-c12 |r|
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999n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583886
PNG
(CHEMBL5070501)
Show SMILES Cc1cccc2C[C@@H](O)Cc3nnc(C4CCN(CC4)c4ccccc4)n3-c12 |r|
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999n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50583881
PNG
(CHEMBL5081323)
Show SMILES Cc1ccc-2c(CC(O)Cc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n-23)c1 |r,wU:14.13,wD:17.20,(55.33,-32.61,;56.65,-31.79,;56.59,-30.27,;57.87,-29.48,;59.2,-30.19,;59.25,-31.7,;60.49,-32.59,;61.89,-32.18,;62.84,-33.28,;62.5,-30.85,;61.86,-29.57,;62.64,-28.22,;61.61,-27.07,;60.2,-27.7,;58.86,-26.93,;57.53,-27.69,;56.19,-26.93,;56.19,-25.38,;57.53,-24.6,;58.86,-25.38,;54.84,-24.61,;53.51,-25.39,;52.17,-24.61,;50.83,-25.39,;50.83,-26.94,;52.19,-27.7,;53.52,-26.93,;60.35,-29.24,;57.98,-32.49,)|
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1.07E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V2 receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50546439
PNG
(Balovaptan | RG-7314 | RO-5285119 | RO5285119 | Rg...)
Show SMILES CN1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,wD:10.13,(-.51,-6.75,;-1.47,-5.54,;-.79,-4.16,;-1.45,-2.76,;-.65,-1.45,;-1.66,-.28,;-3.08,-.88,;-4.39,-.07,;-5.74,-.79,;-7.05,.02,;-7,1.56,;-5.65,2.28,;-4.34,1.47,;-8.31,2.37,;-9.67,1.64,;-9.72,.1,;-11.08,-.63,;-12.38,.19,;-12.34,1.72,;-10.98,2.45,;-2.95,-2.41,;-4.16,-3.37,;-5.49,-2.59,;-6.83,-3.35,;-6.83,-4.89,;-8.17,-5.65,;-5.51,-5.67,;-4.17,-4.91,;-2.97,-5.87,)|
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1.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V2 receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583885
PNG
(CHEMBL5079921)
Show SMILES Cc1cccc2C[C@H](O)Cc3nnc(C4CCN(CC4)c4ccccc4)n3-c12 |r|
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50546436
PNG
(CHEMBL4799793)
Show SMILES Clc1ccc-2c(CCCc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n-23)c1 |r,wU:13.12,wD:16.19,(20.56,-28.4,;21.91,-29.12,;23.23,-28.31,;24.58,-29.05,;24.62,-30.59,;23.31,-31.39,;23.13,-32.92,;24.2,-34.02,;25.73,-33.86,;26.56,-32.56,;28.09,-32.56,;28.56,-31.1,;27.32,-30.2,;27.31,-28.66,;25.98,-27.88,;25.99,-26.34,;27.34,-25.57,;28.67,-26.35,;28.66,-27.9,;27.34,-24.04,;26.01,-23.27,;26.02,-21.74,;24.69,-20.97,;23.36,-21.74,;23.36,-23.28,;24.69,-24.04,;26.07,-31.1,;21.96,-30.66,)|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human V1A receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescent plate reader


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583877
PNG
(CHEMBL5070261)
Show SMILES OC1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,wD:10.13,(84.69,-14.49,;83.74,-13.39,;84.35,-12.06,;83.71,-10.78,;84.49,-9.44,;83.46,-8.29,;82.05,-8.91,;80.71,-8.14,;79.38,-8.9,;78.04,-8.14,;78.04,-6.6,;79.38,-5.81,;80.71,-6.6,;76.69,-5.82,;75.36,-6.6,;74.02,-5.82,;72.68,-6.6,;72.68,-8.15,;74.04,-8.92,;75.37,-8.14,;82.19,-10.46,;81.05,-11.4,;79.72,-10.7,;78.44,-11.49,;78.5,-13,;77.18,-13.83,;79.83,-13.71,;81.1,-12.91,;82.34,-13.81,)|
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human V1A receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescent plate reader


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583878
PNG
(CHEMBL5074709)
Show SMILES O[C@@H]1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,1.0,wD:10.13,(13.29,-32.25,;12.34,-31.15,;12.94,-29.82,;12.31,-28.53,;13.09,-27.19,;12.06,-26.04,;10.65,-26.67,;9.3,-25.9,;7.97,-26.66,;6.64,-25.9,;6.64,-24.35,;7.97,-23.57,;9.3,-24.35,;5.29,-23.58,;3.96,-24.36,;2.61,-23.58,;1.27,-24.36,;1.28,-25.91,;2.63,-26.67,;3.97,-25.9,;10.79,-28.21,;9.65,-29.16,;8.32,-28.45,;7.04,-29.24,;7.09,-30.76,;5.78,-31.58,;8.42,-31.46,;9.69,-30.66,;10.94,-31.56,)|
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human V1A receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescent plate reader


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583879
PNG
(CHEMBL5070075)
Show SMILES O[C@H]1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,wD:10.13,1.0,(28.94,-32.53,;27.98,-31.43,;28.59,-30.1,;27.96,-28.82,;28.74,-27.48,;27.7,-26.33,;26.29,-26.96,;24.95,-26.18,;23.62,-26.95,;22.28,-26.18,;22.28,-24.64,;23.62,-23.85,;24.95,-24.64,;20.94,-23.86,;19.61,-24.64,;18.26,-23.87,;16.92,-24.65,;16.93,-26.19,;18.28,-26.96,;19.61,-26.18,;26.44,-28.5,;25.29,-29.44,;23.96,-28.74,;22.69,-29.53,;22.74,-31.04,;21.43,-31.87,;24.07,-31.75,;25.34,-30.95,;26.58,-31.85,)|
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n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human V1A receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescent plate reader


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583881
PNG
(CHEMBL5081323)
Show SMILES Cc1ccc-2c(CC(O)Cc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n-23)c1 |r,wU:14.13,wD:17.20,(55.33,-32.61,;56.65,-31.79,;56.59,-30.27,;57.87,-29.48,;59.2,-30.19,;59.25,-31.7,;60.49,-32.59,;61.89,-32.18,;62.84,-33.28,;62.5,-30.85,;61.86,-29.57,;62.64,-28.22,;61.61,-27.07,;60.2,-27.7,;58.86,-26.93,;57.53,-27.69,;56.19,-26.93,;56.19,-25.38,;57.53,-24.6,;58.86,-25.38,;54.84,-24.61,;53.51,-25.39,;52.17,-24.61,;50.83,-25.39,;50.83,-26.94,;52.19,-27.7,;53.52,-26.93,;60.35,-29.24,;57.98,-32.49,)|
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human V1A receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescent plate reader


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077217
PNG
(CHEMBL3416885)
Show SMILES CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12
Show InChI InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human V1A receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescent plate reader


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50546439
PNG
(Balovaptan | RG-7314 | RO-5285119 | RO5285119 | Rg...)
Show SMILES CN1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,wD:10.13,(-.51,-6.75,;-1.47,-5.54,;-.79,-4.16,;-1.45,-2.76,;-.65,-1.45,;-1.66,-.28,;-3.08,-.88,;-4.39,-.07,;-5.74,-.79,;-7.05,.02,;-7,1.56,;-5.65,2.28,;-4.34,1.47,;-8.31,2.37,;-9.67,1.64,;-9.72,.1,;-11.08,-.63,;-12.38,.19,;-12.34,1.72,;-10.98,2.45,;-2.95,-2.41,;-4.16,-3.37,;-5.49,-2.59,;-6.83,-3.35,;-6.83,-4.89,;-8.17,-5.65,;-5.51,-5.67,;-4.17,-4.91,;-2.97,-5.87,)|
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Assay Description
Inhibition of human V1A receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescent plate reader


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354894
PNG
(CHEMBL1837037)
Show SMILES CN1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
Show InChI InChI=1S/C21H23ClN6/c1-26-13-16-12-17(22)5-6-18(16)28-20(14-26)24-25-21(28)15-7-10-27(11-8-15)19-4-2-3-9-23-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
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Assay Description
Inhibition of human V1A receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescent plate reader


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50583882
PNG
(CHEMBL5085869)
Show SMILES Cc1ccc2CC(O)Cc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n3-c2c1 |r,wU:13.12,wD:16.19,(71.9,-29.6,;73.27,-30.33,;73.32,-31.84,;74.66,-32.55,;75.92,-31.75,;77.17,-32.65,;78.57,-32.23,;79.52,-33.33,;79.18,-30.9,;78.54,-29.62,;79.32,-28.28,;78.29,-27.13,;76.88,-27.75,;75.54,-26.98,;74.21,-27.74,;72.87,-26.98,;72.87,-25.44,;74.21,-24.65,;75.54,-25.44,;71.52,-24.66,;70.19,-25.44,;68.85,-24.66,;67.51,-25.44,;67.51,-26.99,;68.86,-27.76,;70.2,-26.98,;77.02,-29.3,;75.88,-30.24,;74.55,-29.54,)|
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Assay Description
Inhibition of human V1A receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescent plate reader


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35723
PNG
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
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TBA

Assay Description
Inhibition of human V1A receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescent plate reader


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair