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Compile Data Set for Download or QSAR

Found 591 hits with Last Name = 'baska' and Initial = 'f'   
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))
BDBM50546431
PNG
(CHEMBL4759005)
Show SMILES C#Cc1ccc-2c(CCCc3nnc(C4CCN(CC4)c4ccccn4)n-23)c1
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0.450n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127417
BindingDB Entry DOI: 10.7270/Q2542S52
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50546434
PNG
(CHEMBL4756031)
Show SMILES Cc1cc(no1)[C@H]1CC[C@@H](CC1)c1nnc2CCCc3cc(Br)ccc3-n12 |r,wU:9.13,wD:6.6,(77.36,-1.51,;78.26,-2.75,;77.79,-4.21,;79.02,-5.1,;80.26,-4.21,;79.79,-2.76,;79.02,-6.63,;77.68,-7.4,;77.67,-8.94,;79,-9.72,;80.34,-8.96,;80.35,-7.41,;79.01,-11.26,;80.25,-12.17,;79.77,-13.63,;78.25,-13.62,;77.41,-14.92,;75.88,-15.08,;74.81,-13.98,;74.99,-12.45,;73.64,-11.72,;73.6,-10.19,;72.25,-9.46,;74.92,-9.37,;76.27,-10.11,;76.31,-11.65,;77.76,-12.17,)|
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0.600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127417
BindingDB Entry DOI: 10.7270/Q2542S52
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50546437
PNG
(CHEMBL4799412)
Show SMILES Brc1ccc-2c(CCCc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n-23)c1 |r,wU:13.12,wD:16.19,(39.85,-28.42,;41.2,-29.15,;42.52,-28.33,;43.87,-29.07,;43.91,-30.61,;42.6,-31.41,;42.41,-32.94,;43.49,-34.04,;45.02,-33.88,;45.85,-32.58,;47.38,-32.59,;47.85,-31.13,;46.61,-30.22,;46.6,-28.68,;45.27,-27.9,;45.28,-26.36,;46.62,-25.59,;47.95,-26.37,;47.95,-27.92,;46.63,-24.06,;45.3,-23.28,;45.32,-21.75,;43.99,-20.97,;42.66,-21.74,;42.66,-23.28,;43.98,-24.05,;45.36,-31.13,;41.25,-30.68,)|
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0.600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127417
BindingDB Entry DOI: 10.7270/Q2542S52
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50546416
PNG
(CHEMBL4778087)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)N1C[C@H](Cc2cc(Cl)ccc12)C(=O)N1CCCC1 |r|
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0.600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127417
BindingDB Entry DOI: 10.7270/Q2542S52
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560299
PNG
(CHEMBL4756212)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)N1C[C@H](Cc2cc(Cl)ccc12)C(=O)C1CCCC1 |r|
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0.600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
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))
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]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
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]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127417
BindingDB Entry DOI: 10.7270/Q2542S52
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50546429
PNG
(CHEMBL4746716)
Show SMILES Brc1ccc-2c(CCCc3nnc(C4CCN(CC4)c4ccccn4)n-23)c1
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0.700n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127417
BindingDB Entry DOI: 10.7270/Q2542S52
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50546433
PNG
(CHEMBL4756737)
Show SMILES Cc1cc(no1)[C@H]1CC[C@@H](CC1)c1nnc2CCCc3cc(Cl)ccc3-n12 |r,wU:9.13,wD:6.6,(60.97,-1.63,;61.87,-2.87,;61.39,-4.32,;62.63,-5.22,;63.87,-4.33,;63.4,-2.87,;62.63,-6.75,;61.28,-7.51,;61.27,-9.05,;62.61,-9.84,;63.95,-9.07,;63.96,-7.52,;62.61,-11.38,;63.86,-12.28,;63.38,-13.74,;61.85,-13.74,;61.02,-15.04,;59.49,-15.2,;58.42,-14.1,;58.6,-12.57,;57.25,-11.84,;57.21,-10.3,;55.85,-9.57,;58.52,-9.49,;59.88,-10.23,;59.92,-11.76,;61.36,-12.28,)|
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0.700n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127417
BindingDB Entry DOI: 10.7270/Q2542S52
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]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127417
BindingDB Entry DOI: 10.7270/Q2542S52
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 V1a receptor


(Homo sapiens (Human))
BDBM50560300
PNG
(CHEMBL4790970)
Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r|
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0.900n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560289
PNG
(CHEMBL4759676)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)N1CN(Cc2cc(Cl)ccc12)C(=O)C1CCCC1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
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


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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))
BDBM50546428
PNG
(CHEMBL4778839)
Show SMILES Clc1ccc-2c(CCCc3nnc(C4CCN(CC4)c4ccccn4)n-23)c1
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127417
BindingDB Entry DOI: 10.7270/Q2542S52
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50546417
PNG
(CHEMBL4751140)
Show SMILES Clc1ccc2N(CCNc2c1)C(=O)C1CCN(CC1)c1ccccn1
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127417
BindingDB Entry DOI: 10.7270/Q2542S52
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50546435
PNG
(CHEMBL4786172)
Show SMILES Cc1cc(no1)[C@H]1CC[C@@H](CC1)c1nnc2CCCc3ccccc3-n12 |r,wU:9.13,wD:6.6,(7.34,-20.86,;8.24,-22.11,;7.76,-23.56,;9,-24.46,;10.24,-23.57,;9.77,-22.11,;9,-25.99,;7.66,-26.75,;7.65,-28.29,;8.98,-29.07,;10.32,-28.31,;10.33,-26.76,;8.99,-30.62,;10.23,-31.52,;9.75,-32.98,;8.22,-32.97,;7.39,-34.27,;5.86,-34.44,;4.79,-33.33,;4.97,-31.8,;3.62,-31.07,;3.58,-29.54,;4.9,-28.73,;6.25,-29.46,;6.29,-31,;7.74,-31.52,)|
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1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127417
BindingDB Entry DOI: 10.7270/Q2542S52
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560277
PNG
(CHEMBL4798542)
Show SMILES CN1CCN(C(=O)N2CCN(CC2)c2ncccc2Cl)c2ccc(Cl)cc12
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2n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560270
PNG
(CHEMBL4796133)
Show SMILES Cc1cccnc1N1CCN(CC1)C(=O)N1CCNc2cc(Cl)ccc12
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2n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50546438
PNG
(CHEMBL4741178)
Show SMILES C1C[C@@H](CC[C@H]1Oc1ccccn1)c1nnc2CCCc3ccccc3-n12 |r,wU:2.14,wD:5.6,(62.24,-26.43,;62.23,-27.97,;63.56,-28.75,;64.91,-27.99,;64.91,-26.44,;63.58,-25.66,;63.59,-24.13,;62.26,-23.35,;62.28,-21.82,;60.95,-21.04,;59.62,-21.8,;59.62,-23.35,;60.94,-24.12,;63.57,-30.29,;64.81,-31.19,;64.33,-32.65,;62.81,-32.65,;61.97,-33.95,;60.45,-34.11,;59.37,-33.01,;59.56,-31.48,;58.21,-30.75,;58.16,-29.21,;59.48,-28.4,;60.83,-29.14,;60.87,-30.68,;62.32,-31.19,)|
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2.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127417
BindingDB Entry DOI: 10.7270/Q2542S52
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560298
PNG
(CHEMBL4790089)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)N1C[C@@H](Cc2cc(Cl)ccc12)C(=O)C1CCCC1 |r|
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2.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560288
PNG
(CHEMBL4779447)
Show SMILES CC(C)C(=O)N1CN(C(=O)N2CCN(CC2)c2ccccc2C)c2ccc(Cl)cc2C1
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2.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560291
PNG
(CHEMBL4758331)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)N1CN(Cc2cc(Cl)ccc12)C(=O)c1ccccc1
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560284
PNG
(CHEMBL4762200)
Show SMILES CN1CN(C(=O)N2CCN(CC2)c2ccccc2C)c2ccc(Cl)cc2C1
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560272
PNG
(CHEMBL4776471)
Show SMILES Cc1ccccc1C1CCN(CC1)C(=O)N1CCNc2cc(Cl)ccc12
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560283
PNG
(CHEMBL4758799)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)N1CNCc2cc(Cl)ccc12
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560287
PNG
(CHEMBL4789306)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)N1CN(Cc2cc(Cl)ccc12)C(=O)C1CC1
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3.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
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
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))
BDBM50560292
PNG
(CHEMBL4744606)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)N1CN(Cc2cc(Cl)ccc12)C(=O)CO
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4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560264
PNG
(CHEMBL4760164)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)N1CCCc2cc(Cl)ccc12
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4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560271
PNG
(CHEMBL4785083)
Show SMILES Clc1ccc2N(CCNc2c1)C(=O)N1CCC2(CC1)OCc1ccccc21
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4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560297
PNG
(CHEMBL4746818)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)C1CN(Cc2cc(Cl)ccc12)C(=O)C1CCCCC1
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4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560266
PNG
(CHEMBL4787242)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)N1CCNc2cc(Cl)ccc12
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4.10n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560265
PNG
(CHEMBL4749660)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)N1CCCCc2cc(Cl)ccc12
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560297
PNG
(CHEMBL4746818)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)C1CN(Cc2cc(Cl)ccc12)C(=O)C1CCCCC1
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Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560295
PNG
(CHEMBL4741743)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)C1CN(Cc2cc(Cl)ccc12)C(=O)C1CC1
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Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560297
PNG
(CHEMBL4746818)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)C1CN(Cc2cc(Cl)ccc12)C(=O)C1CCCCC1
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5n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560294
PNG
(CHEMBL4763639)
Show SMILES CC(C)C(=O)N1CC(C(=O)N2CCN(CC2)c2ccccc2C)c2ccc(Cl)cc2C1
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5n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560290
PNG
(CHEMBL4759748)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)N1CN(Cc2cc(Cl)ccc12)C(=O)C1CCCCC1
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5n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560285
PNG
(CHEMBL4781783)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)N1CN(Cc2cc(Cl)ccc12)S(C)(=O)=O
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5.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
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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5.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
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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5.5n/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))
BDBM50560269
PNG
(CHEMBL4743785)
Show SMILES Clc1ccc2N(CCNc2c1)C(=O)N1CCN(CC1)c1ncccc1Cl
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560286
PNG
(CHEMBL4782389)
Show SMILES CC(=O)N1CN(C(=O)N2CCN(CC2)c2ccccc2C)c2ccc(Cl)cc2C1
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antibodypedia
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50560296
PNG
(CHEMBL4753130)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)C1CN(Cc2cc(Cl)ccc12)C(=O)C1CCCC1
PDB

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antibodypedia
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UniChem
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127416
BindingDB Entry DOI: 10.7270/Q2KK9GJ4
More data for this
Ligand-Target Pair
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