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5 similar compounds to monomer 50397216

Compile data set for download or QSAR
Wt: 1205.4
BDBM50397211
Wt: 1101.3
BDBM50397213
Wt: 1357.5
BDBM50397215
Wt: 1295.5
BDBM50397217
Wt: 1295.5
BDBM50397218

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50397211,50397213,50397215,50397217,50397218   
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))
BDBM50397215
PNG
(CHEMBL2172295)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc45)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C72H80N10O13S2/c1-5-79(6-2)54-28-31-60-65(45-54)95-66-46-55(80(7-3)8-4)29-32-61(66)70(60)62-33-30-56(47-67(62)97(89,90)91)96(87,88)74-36-39-92-41-43-94-44-42-93-40-38-81-49-53(77-78-81)48-73-68(83)34-35-69(84)76-63-22-16-37-82(64-23-15-14-21-59(63)64)72(86)51-24-26-52(27-25-51)75-71(85)58-20-13-12-19-57(58)50-17-10-9-11-18-50/h9-15,17-21,23-33,45-47,49,63,74H,5-8,16,22,34-44,48H2,1-4H3,(H3-,73,75,76,83,84,85,86,89,90,91)
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4n/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))
BDBM50397213
PNG
(CHEMBL2172391)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C62H64N6O9S2/c1-5-66(6-2)45-31-34-51-56(39-45)77-57-40-46(67(7-3)8-4)32-35-52(57)60(51)53-36-33-47(41-58(53)79(74,75)76)78(72,73)63-37-17-16-26-59(69)65-54-24-18-38-68(55-25-15-14-23-50(54)55)62(71)43-27-29-44(30-28-43)64-61(70)49-22-13-12-21-48(49)42-19-10-9-11-20-42/h9-15,19-23,25,27-36,39-41,54,63H,5-8,16-18,24,26,37-38H2,1-4H3,(H2-,64,65,69,70,71,74,75,76)
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7.60n/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))
BDBM50397211
PNG
(CHEMBL2172393)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C66H72N6O12S2/c1-5-70(6-2)49-28-31-55-60(43-49)84-61-44-50(71(7-3)8-4)29-32-56(61)64(55)57-33-30-51(45-62(57)86(78,79)80)85(76,77)67-35-38-82-40-42-83-41-39-81-37-34-63(73)69-58-22-16-36-72(59-23-15-14-21-54(58)59)66(75)47-24-26-48(27-25-47)68-65(74)53-20-13-12-19-52(53)46-17-10-9-11-18-46/h9-15,17-21,23-33,43-45,58,67H,5-8,16,22,34-42H2,1-4H3,(H2-,68,69,73,74,75,78,79,80)
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16.8n/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))
BDBM50397217
PNG
(CHEMBL2172293)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc45)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C67H78N10O13S2/c1-6-74(7-2)50-24-27-55-60(41-50)90-61-42-51(75(8-3)9-4)25-28-56(61)65(55)57-29-26-52(43-62(57)92(84,85)86)91(82,83)69-32-35-87-37-39-89-40-38-88-36-34-76-45-49(72-73-76)44-68-63(78)30-31-64(79)71-58-18-14-33-77(59-19-13-12-17-54(58)59)67(81)47-20-22-48(23-21-47)70-66(80)53-16-11-10-15-46(53)5/h10-13,15-17,19-29,41-43,45,58,69H,6-9,14,18,30-40,44H2,1-5H3,(H3-,68,70,71,78,79,80,81,84,85,86)
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54.3n/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))
BDBM50397218
PNG
(CHEMBL2172292)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc45)nn3)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C67H78N10O13S2/c1-6-74(7-2)50-24-27-55-60(41-50)90-61-42-51(75(8-3)9-4)25-28-56(61)65(55)57-29-26-52(92(84,85)86)43-62(57)91(82,83)69-32-35-87-37-39-89-40-38-88-36-34-76-45-49(72-73-76)44-68-63(78)30-31-64(79)71-58-18-14-33-77(59-19-13-12-17-54(58)59)67(81)47-20-22-48(23-21-47)70-66(80)53-16-11-10-15-46(53)5/h10-13,15-17,19-29,41-43,45,58,69H,6-9,14,18,30-40,44H2,1-5H3,(H3-,68,70,71,78,79,80,81,84,85,86)
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188n/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
Oxytocin receptor


(HEK293)
BDBM50397218
PNG
(CHEMBL2172292)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc45)nn3)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C67H78N10O13S2/c1-6-74(7-2)50-24-27-55-60(41-50)90-61-42-51(75(8-3)9-4)25-28-56(61)65(55)57-29-26-52(92(84,85)86)43-62(57)91(82,83)69-32-35-87-37-39-89-40-38-88-36-34-76-45-49(72-73-76)44-68-63(78)30-31-64(79)71-58-18-14-33-77(59-19-13-12-17-54(58)59)67(81)47-20-22-48(23-21-47)70-66(80)53-16-11-10-15-46(53)5/h10-13,15-17,19-29,41-43,45,58,69H,6-9,14,18,30-40,44H2,1-5H3,(H3-,68,70,71,78,79,80,81,84,85,86)
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307n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human oxytocin 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
Oxytocin receptor


(HEK293)
BDBM50397217
PNG
(CHEMBL2172293)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc45)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C67H78N10O13S2/c1-6-74(7-2)50-24-27-55-60(41-50)90-61-42-51(75(8-3)9-4)25-28-56(61)65(55)57-29-26-52(43-62(57)92(84,85)86)91(82,83)69-32-35-87-37-39-89-40-38-88-36-34-76-45-49(72-73-76)44-68-63(78)30-31-64(79)71-58-18-14-33-77(59-19-13-12-17-54(58)59)67(81)47-20-22-48(23-21-47)70-66(80)53-16-11-10-15-46(53)5/h10-13,15-17,19-29,41-43,45,58,69H,6-9,14,18,30-40,44H2,1-5H3,(H3-,68,70,71,78,79,80,81,84,85,86)
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495n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human oxytocin 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
Oxytocin receptor


(HEK293)
BDBM50397215
PNG
(CHEMBL2172295)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc45)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C72H80N10O13S2/c1-5-79(6-2)54-28-31-60-65(45-54)95-66-46-55(80(7-3)8-4)29-32-61(66)70(60)62-33-30-56(47-67(62)97(89,90)91)96(87,88)74-36-39-92-41-43-94-44-42-93-40-38-81-49-53(77-78-81)48-73-68(83)34-35-69(84)76-63-22-16-37-82(64-23-15-14-21-59(63)64)72(86)51-24-26-52(27-25-51)75-71(85)58-20-13-12-19-57(58)50-17-10-9-11-18-50/h9-15,17-21,23-33,45-47,49,63,74H,5-8,16,22,34-44,48H2,1-4H3,(H3-,73,75,76,83,84,85,86,89,90,91)
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human oxytocin 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 V1b receptor


(Homo sapiens (Human))
BDBM50397215
PNG
(CHEMBL2172295)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc45)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C72H80N10O13S2/c1-5-79(6-2)54-28-31-60-65(45-54)95-66-46-55(80(7-3)8-4)29-32-61(66)70(60)62-33-30-56(47-67(62)97(89,90)91)96(87,88)74-36-39-92-41-43-94-44-42-93-40-38-81-49-53(77-78-81)48-73-68(83)34-35-69(84)76-63-22-16-37-82(64-23-15-14-21-59(63)64)72(86)51-24-26-52(27-25-51)75-71(85)58-20-13-12-19-57(58)50-17-10-9-11-18-50/h9-15,17-21,23-33,45-47,49,63,74H,5-8,16,22,34-44,48H2,1-4H3,(H3-,73,75,76,83,84,85,86,89,90,91)
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>1.00E+4n/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 V1b 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 V1b receptor


(Homo sapiens (Human))
BDBM50397217
PNG
(CHEMBL2172293)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc45)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C67H78N10O13S2/c1-6-74(7-2)50-24-27-55-60(41-50)90-61-42-51(75(8-3)9-4)25-28-56(61)65(55)57-29-26-52(43-62(57)92(84,85)86)91(82,83)69-32-35-87-37-39-89-40-38-88-36-34-76-45-49(72-73-76)44-68-63(78)30-31-64(79)71-58-18-14-33-77(59-19-13-12-17-54(58)59)67(81)47-20-22-48(23-21-47)70-66(80)53-16-11-10-15-46(53)5/h10-13,15-17,19-29,41-43,45,58,69H,6-9,14,18,30-40,44H2,1-5H3,(H3-,68,70,71,78,79,80,81,84,85,86)
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>1.00E+4n/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 V1b 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 V1b receptor


(Homo sapiens (Human))
BDBM50397218
PNG
(CHEMBL2172292)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc45)nn3)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C67H78N10O13S2/c1-6-74(7-2)50-24-27-55-60(41-50)90-61-42-51(75(8-3)9-4)25-28-56(61)65(55)57-29-26-52(92(84,85)86)43-62(57)91(82,83)69-32-35-87-37-39-89-40-38-88-36-34-76-45-49(72-73-76)44-68-63(78)30-31-64(79)71-58-18-14-33-77(59-19-13-12-17-54(58)59)67(81)47-20-22-48(23-21-47)70-66(80)53-16-11-10-15-46(53)5/h10-13,15-17,19-29,41-43,45,58,69H,6-9,14,18,30-40,44H2,1-5H3,(H3-,68,70,71,78,79,80,81,84,85,86)
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>1.00E+4n/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 V1b 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 V1a receptor


(Homo sapiens (Human))
BDBM50397215
PNG
(CHEMBL2172295)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc45)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C72H80N10O13S2/c1-5-79(6-2)54-28-31-60-65(45-54)95-66-46-55(80(7-3)8-4)29-32-61(66)70(60)62-33-30-56(47-67(62)97(89,90)91)96(87,88)74-36-39-92-41-43-94-44-42-93-40-38-81-49-53(77-78-81)48-73-68(83)34-35-69(84)76-63-22-16-37-82(64-23-15-14-21-59(63)64)72(86)51-24-26-52(27-25-51)75-71(85)58-20-13-12-19-57(58)50-17-10-9-11-18-50/h9-15,17-21,23-33,45-47,49,63,74H,5-8,16,22,34-44,48H2,1-4H3,(H3-,73,75,76,83,84,85,86,89,90,91)
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>1.00E+4n/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 V1a 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 V1a receptor


(Homo sapiens (Human))
BDBM50397217
PNG
(CHEMBL2172293)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc45)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C67H78N10O13S2/c1-6-74(7-2)50-24-27-55-60(41-50)90-61-42-51(75(8-3)9-4)25-28-56(61)65(55)57-29-26-52(43-62(57)92(84,85)86)91(82,83)69-32-35-87-37-39-89-40-38-88-36-34-76-45-49(72-73-76)44-68-63(78)30-31-64(79)71-58-18-14-33-77(59-19-13-12-17-54(58)59)67(81)47-20-22-48(23-21-47)70-66(80)53-16-11-10-15-46(53)5/h10-13,15-17,19-29,41-43,45,58,69H,6-9,14,18,30-40,44H2,1-5H3,(H3-,68,70,71,78,79,80,81,84,85,86)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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 V1a 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 V1a receptor


(Homo sapiens (Human))
BDBM50397218
PNG
(CHEMBL2172292)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc45)nn3)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C67H78N10O13S2/c1-6-74(7-2)50-24-27-55-60(41-50)90-61-42-51(75(8-3)9-4)25-28-56(61)65(55)57-29-26-52(92(84,85)86)43-62(57)91(82,83)69-32-35-87-37-39-89-40-38-88-36-34-76-45-49(72-73-76)44-68-63(78)30-31-64(79)71-58-18-14-33-77(59-19-13-12-17-54(58)59)67(81)47-20-22-48(23-21-47)70-66(80)53-16-11-10-15-46(53)5/h10-13,15-17,19-29,41-43,45,58,69H,6-9,14,18,30-40,44H2,1-5H3,(H3-,68,70,71,78,79,80,81,84,85,86)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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 V1a 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