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2 similar compounds to monomer 50397209

Wt: 1309.5
BDBM50397206
Wt: 1441.7
BDBM50397210

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50397206,50397210   
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))
BDBM50397210
PNG
(CHEMBL2172290)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C77H88N10O14S2/c1-6-85-67-36-34-58(102(93,94)95)50-63(67)76(3,4)69(85)27-12-9-13-28-70-77(5,64-51-59(103(96,97)98)35-37-68(64)86(70)7-2)40-18-29-71(88)78-41-44-99-46-48-101-49-47-100-45-43-84-53-57(82-83-84)52-79-72(89)38-39-73(90)81-65-25-19-42-87(66-26-17-16-24-62(65)66)75(92)55-30-32-56(33-31-55)80-74(91)61-23-15-14-22-60(61)54-20-10-8-11-21-54/h8-17,20-24,26-28,30-37,50-51,53,65H,6-7,18-19,25,29,38-49,52H2,1-5H3,(H5-,78,79,80,81,88,89,90,91,92,93,94,95,96,97,98)
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1.93n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from SNAP-tagged vasopressin V2 receptor expressed in HEK293 cells by FRET assay


J Med Chem 55: 8588-602 (2012)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50397206
PNG
(CHEMBL2172289)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C71H76N10O11S2/c1-6-79-61-36-34-52(93(87,88)89)44-57(61)70(3,4)63(79)27-12-9-13-28-64-71(5,58-45-53(94(90,91)92)35-37-62(58)80(64)7-2)40-18-29-65(82)72-41-43-78-47-51(76-77-78)46-73-66(83)38-39-67(84)75-59-25-19-42-81(60-26-17-16-24-56(59)60)69(86)49-30-32-50(33-31-49)74-68(85)55-23-15-14-22-54(55)48-20-10-8-11-21-48/h8-17,20-24,26-28,30-37,44-45,47,59H,6-7,18-19,25,29,38-43,46H2,1-5H3,(H5-,72,73,74,75,82,83,84,85,86,87,88,89,90,91,92)
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5.69n/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)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50397210
PNG
(CHEMBL2172290)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C77H88N10O14S2/c1-6-85-67-36-34-58(102(93,94)95)50-63(67)76(3,4)69(85)27-12-9-13-28-70-77(5,64-51-59(103(96,97)98)35-37-68(64)86(70)7-2)40-18-29-71(88)78-41-44-99-46-48-101-49-47-100-45-43-84-53-57(82-83-84)52-79-72(89)38-39-73(90)81-65-25-19-42-87(66-26-17-16-24-62(65)66)75(92)55-30-32-56(33-31-55)80-74(91)61-23-15-14-22-60(61)54-20-10-8-11-21-54/h8-17,20-24,26-28,30-37,50-51,53,65H,6-7,18-19,25,29,38-49,52H2,1-5H3,(H5-,78,79,80,81,88,89,90,91,92,93,94,95,96,97,98)
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9.02n/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50397206
PNG
(CHEMBL2172289)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C71H76N10O11S2/c1-6-79-61-36-34-52(93(87,88)89)44-57(61)70(3,4)63(79)27-12-9-13-28-64-71(5,58-45-53(94(90,91)92)35-37-62(58)80(64)7-2)40-18-29-65(82)72-41-43-78-47-51(76-77-78)46-73-66(83)38-39-67(84)75-59-25-19-42-81(60-26-17-16-24-56(59)60)69(86)49-30-32-50(33-31-49)74-68(85)55-23-15-14-22-54(55)48-20-10-8-11-21-48/h8-17,20-24,26-28,30-37,44-45,47,59H,6-7,18-19,25,29,38-43,46H2,1-5H3,(H5-,72,73,74,75,82,83,84,85,86,87,88,89,90,91,92)
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184n/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)

More data for this
Ligand-Target Pair
Vasopressin V1a receptor (V1a)


(Homo sapiens (Human))
BDBM50397206
PNG
(CHEMBL2172289)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C71H76N10O11S2/c1-6-79-61-36-34-52(93(87,88)89)44-57(61)70(3,4)63(79)27-12-9-13-28-64-71(5,58-45-53(94(90,91)92)35-37-62(58)80(64)7-2)40-18-29-65(82)72-41-43-78-47-51(76-77-78)46-73-66(83)38-39-67(84)75-59-25-19-42-81(60-26-17-16-24-56(59)60)69(86)49-30-32-50(33-31-49)74-68(85)55-23-15-14-22-54(55)48-20-10-8-11-21-48/h8-17,20-24,26-28,30-37,44-45,47,59H,6-7,18-19,25,29,38-43,46H2,1-5H3,(H5-,72,73,74,75,82,83,84,85,86,87,88,89,90,91,92)
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621n/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)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50397210
PNG
(CHEMBL2172290)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C77H88N10O14S2/c1-6-85-67-36-34-58(102(93,94)95)50-63(67)76(3,4)69(85)27-12-9-13-28-70-77(5,64-51-59(103(96,97)98)35-37-68(64)86(70)7-2)40-18-29-71(88)78-41-44-99-46-48-101-49-47-100-45-43-84-53-57(82-83-84)52-79-72(89)38-39-73(90)81-65-25-19-42-87(66-26-17-16-24-62(65)66)75(92)55-30-32-56(33-31-55)80-74(91)61-23-15-14-22-60(61)54-20-10-8-11-21-54/h8-17,20-24,26-28,30-37,50-51,53,65H,6-7,18-19,25,29,38-49,52H2,1-5H3,(H5-,78,79,80,81,88,89,90,91,92,93,94,95,96,97,98)
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808n/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)

More data for this
Ligand-Target Pair
Vasopressin V1a receptor (V1a)


(Homo sapiens (Human))
BDBM50397210
PNG
(CHEMBL2172290)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C77H88N10O14S2/c1-6-85-67-36-34-58(102(93,94)95)50-63(67)76(3,4)69(85)27-12-9-13-28-70-77(5,64-51-59(103(96,97)98)35-37-68(64)86(70)7-2)40-18-29-71(88)78-41-44-99-46-48-101-49-47-100-45-43-84-53-57(82-83-84)52-79-72(89)38-39-73(90)81-65-25-19-42-87(66-26-17-16-24-62(65)66)75(92)55-30-32-56(33-31-55)80-74(91)61-23-15-14-22-60(61)54-20-10-8-11-21-54/h8-17,20-24,26-28,30-37,50-51,53,65H,6-7,18-19,25,29,38-49,52H2,1-5H3,(H5-,78,79,80,81,88,89,90,91,92,93,94,95,96,97,98)
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1.75E+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 V1a receptor expressed in CHO cells after 30 mins


J Med Chem 55: 8588-602 (2012)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50397210
PNG
(CHEMBL2172290)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C77H88N10O14S2/c1-6-85-67-36-34-58(102(93,94)95)50-63(67)76(3,4)69(85)27-12-9-13-28-70-77(5,64-51-59(103(96,97)98)35-37-68(64)86(70)7-2)40-18-29-71(88)78-41-44-99-46-48-101-49-47-100-45-43-84-53-57(82-83-84)52-79-72(89)38-39-73(90)81-65-25-19-42-87(66-26-17-16-24-62(65)66)75(92)55-30-32-56(33-31-55)80-74(91)61-23-15-14-22-60(61)54-20-10-8-11-21-54/h8-17,20-24,26-28,30-37,50-51,53,65H,6-7,18-19,25,29,38-49,52H2,1-5H3,(H5-,78,79,80,81,88,89,90,91,92,93,94,95,96,97,98)
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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)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50397206
PNG
(CHEMBL2172289)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C71H76N10O11S2/c1-6-79-61-36-34-52(93(87,88)89)44-57(61)70(3,4)63(79)27-12-9-13-28-64-71(5,58-45-53(94(90,91)92)35-37-62(58)80(64)7-2)40-18-29-65(82)72-41-43-78-47-51(76-77-78)46-73-66(83)38-39-67(84)75-59-25-19-42-81(60-26-17-16-24-56(59)60)69(86)49-30-32-50(33-31-49)74-68(85)55-23-15-14-22-54(55)48-20-10-8-11-21-48/h8-17,20-24,26-28,30-37,44-45,47,59H,6-7,18-19,25,29,38-43,46H2,1-5H3,(H5-,72,73,74,75,82,83,84,85,86,87,88,89,90,91,92)
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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)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50397210
PNG
(CHEMBL2172290)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C77H88N10O14S2/c1-6-85-67-36-34-58(102(93,94)95)50-63(67)76(3,4)69(85)27-12-9-13-28-70-77(5,64-51-59(103(96,97)98)35-37-68(64)86(70)7-2)40-18-29-71(88)78-41-44-99-46-48-101-49-47-100-45-43-84-53-57(82-83-84)52-79-72(89)38-39-73(90)81-65-25-19-42-87(66-26-17-16-24-62(65)66)75(92)55-30-32-56(33-31-55)80-74(91)61-23-15-14-22-60(61)54-20-10-8-11-21-54/h8-17,20-24,26-28,30-37,50-51,53,65H,6-7,18-19,25,29,38-49,52H2,1-5H3,(H5-,78,79,80,81,88,89,90,91,92,93,94,95,96,97,98)
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n/an/an/a 2.33n/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to SNAP-tagged vasopressin V2 receptor expressed in HEK293 cells after 1 hr by TR-FRET assay


J Med Chem 55: 8588-602 (2012)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50397206
PNG
(CHEMBL2172289)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C71H76N10O11S2/c1-6-79-61-36-34-52(93(87,88)89)44-57(61)70(3,4)63(79)27-12-9-13-28-64-71(5,58-45-53(94(90,91)92)35-37-62(58)80(64)7-2)40-18-29-65(82)72-41-43-78-47-51(76-77-78)46-73-66(83)38-39-67(84)75-59-25-19-42-81(60-26-17-16-24-56(59)60)69(86)49-30-32-50(33-31-49)74-68(85)55-23-15-14-22-54(55)48-20-10-8-11-21-48/h8-17,20-24,26-28,30-37,44-45,47,59H,6-7,18-19,25,29,38-43,46H2,1-5H3,(H5-,72,73,74,75,82,83,84,85,86,87,88,89,90,91,92)
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n/an/an/a 1.38n/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to SNAP-tagged vasopressin V2 receptor expressed in HEK293 cells after 1 hr by TR-FRET assay


J Med Chem 55: 8588-602 (2012)

More data for this
Ligand-Target Pair