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4 similar compounds to monomer 50342029

Compile data set for download or QSAR
Wt: 1027.2
BDBM50342028
Wt: 1098.2
BDBM50342031
Wt: 1154.4
BDBM50342032
Wt: 1210.5
BDBM50342033

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50342028,50342031,50342032,50342033   
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 V1b receptor


(Homo sapiens (Human))
BDBM50342028
PNG
(2-((S)-6-amino-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C47H66N10O12S2/c1-27(2)21-32-42(64)55-35(24-38(49)59)45(67)56-36(47(69)57-19-8-12-37(57)46(68)52-31(11-6-7-18-48)41(63)50-25-40(61)62)26-71-70-20-17-39(60)51-33(23-29-13-15-30(58)16-14-29)43(65)54-34(44(66)53-32)22-28-9-4-3-5-10-28/h3-5,9-10,13-16,27,31-37,58H,6-8,11-12,17-26,48H2,1-2H3,(H2,49,59)(H,50,63)(H,51,60)(H,52,68)(H,53,66)(H,54,65)(H,55,64)(H,56,67)(H,61,62)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
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0.520n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50342032
PNG
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C54H79N11O13S2/c1-33(2)27-38-49(73)63-41(30-44(56)67)52(76)64-42(54(78)65-25-12-16-43(65)53(77)60-37(48(72)58-31-47(70)71)15-9-11-24-57-45(68)17-8-3-4-10-23-55)32-80-79-26-22-46(69)59-39(29-35-18-20-36(66)21-19-35)50(74)62-40(51(75)61-38)28-34-13-6-5-7-14-34/h5-7,13-14,18-21,33,37-43,66H,3-4,8-12,15-17,22-32,55H2,1-2H3,(H2,56,67)(H,57,68)(H,58,72)(H,59,69)(H,60,77)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,70,71)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
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0.610n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50342031
PNG
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C50H71N11O13S2/c1-29(2)23-34-45(69)59-37(26-40(52)63)48(72)60-38(50(74)61-21-8-12-39(61)49(73)56-33(44(68)54-27-43(66)67)11-6-7-20-53-41(64)17-19-51)28-76-75-22-18-42(65)55-35(25-31-13-15-32(62)16-14-31)46(70)58-36(47(71)57-34)24-30-9-4-3-5-10-30/h3-5,9-10,13-16,29,33-39,62H,6-8,11-12,17-28,51H2,1-2H3,(H2,52,63)(H,53,64)(H,54,68)(H,55,65)(H,56,73)(H,57,71)(H,58,70)(H,59,69)(H,60,72)(H,66,67)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50342033
PNG
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C58H87N11O13S2/c1-37(2)31-42-53(77)67-45(34-48(60)71)56(80)68-46(36-84-83-30-26-50(73)63-43(33-39-22-24-40(70)25-23-39)54(78)66-44(55(79)65-42)32-38-17-10-9-11-18-38)58(82)69-29-16-20-47(69)57(81)64-41(52(76)62-35-51(74)75)19-13-15-28-61-49(72)21-12-7-5-3-4-6-8-14-27-59/h9-11,17-18,22-25,37,41-47,70H,3-8,12-16,19-21,26-36,59H2,1-2H3,(H2,60,71)(H,61,72)(H,62,76)(H,63,73)(H,64,81)(H,65,79)(H,66,78)(H,67,77)(H,68,80)(H,74,75)/t41-,42-,43-,44-,45-,46-,47-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50342031
PNG
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C50H71N11O13S2/c1-29(2)23-34-45(69)59-37(26-40(52)63)48(72)60-38(50(74)61-21-8-12-39(61)49(73)56-33(44(68)54-27-43(66)67)11-6-7-20-53-41(64)17-19-51)28-76-75-22-18-42(65)55-35(25-31-13-15-32(62)16-14-31)46(70)58-36(47(71)57-34)24-30-9-4-3-5-10-30/h3-5,9-10,13-16,29,33-39,62H,6-8,11-12,17-28,51H2,1-2H3,(H2,52,63)(H,53,64)(H,54,68)(H,55,65)(H,56,73)(H,57,71)(H,58,70)(H,59,69)(H,60,72)(H,66,67)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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12.6n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50342032
PNG
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C54H79N11O13S2/c1-33(2)27-38-49(73)63-41(30-44(56)67)52(76)64-42(54(78)65-25-12-16-43(65)53(77)60-37(48(72)58-31-47(70)71)15-9-11-24-57-45(68)17-8-3-4-10-23-55)32-80-79-26-22-46(69)59-39(29-35-18-20-36(66)21-19-35)50(74)62-40(51(75)61-38)28-34-13-6-5-7-14-34/h5-7,13-14,18-21,33,37-43,66H,3-4,8-12,15-17,22-32,55H2,1-2H3,(H2,56,67)(H,57,68)(H,58,72)(H,59,69)(H,60,77)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,70,71)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
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22n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50342028
PNG
(2-((S)-6-amino-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C47H66N10O12S2/c1-27(2)21-32-42(64)55-35(24-38(49)59)45(67)56-36(47(69)57-19-8-12-37(57)46(68)52-31(11-6-7-18-48)41(63)50-25-40(61)62)26-71-70-20-17-39(60)51-33(23-29-13-15-30(58)16-14-29)43(65)54-34(44(66)53-32)22-28-9-4-3-5-10-28/h3-5,9-10,13-16,27,31-37,58H,6-8,11-12,17-26,48H2,1-2H3,(H2,49,59)(H,50,63)(H,51,60)(H,52,68)(H,53,66)(H,54,65)(H,55,64)(H,56,67)(H,61,62)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
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29n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50342028
PNG
(2-((S)-6-amino-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C47H66N10O12S2/c1-27(2)21-32-42(64)55-35(24-38(49)59)45(67)56-36(47(69)57-19-8-12-37(57)46(68)52-31(11-6-7-18-48)41(63)50-25-40(61)62)26-71-70-20-17-39(60)51-33(23-29-13-15-30(58)16-14-29)43(65)54-34(44(66)53-32)22-28-9-4-3-5-10-28/h3-5,9-10,13-16,27,31-37,58H,6-8,11-12,17-26,48H2,1-2H3,(H2,49,59)(H,50,63)(H,51,60)(H,52,68)(H,53,66)(H,54,65)(H,55,64)(H,56,67)(H,61,62)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
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69n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50342033
PNG
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C58H87N11O13S2/c1-37(2)31-42-53(77)67-45(34-48(60)71)56(80)68-46(36-84-83-30-26-50(73)63-43(33-39-22-24-40(70)25-23-39)54(78)66-44(55(79)65-42)32-38-17-10-9-11-18-38)58(82)69-29-16-20-47(69)57(81)64-41(52(76)62-35-51(74)75)19-13-15-28-61-49(72)21-12-7-5-3-4-6-8-14-27-59/h9-11,17-18,22-25,37,41-47,70H,3-8,12-16,19-21,26-36,59H2,1-2H3,(H2,60,71)(H,61,72)(H,62,76)(H,63,73)(H,64,81)(H,65,79)(H,66,78)(H,67,77)(H,68,80)(H,74,75)/t41-,42-,43-,44-,45-,46-,47-/m0/s1
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210n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50342031
PNG
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C50H71N11O13S2/c1-29(2)23-34-45(69)59-37(26-40(52)63)48(72)60-38(50(74)61-21-8-12-39(61)49(73)56-33(44(68)54-27-43(66)67)11-6-7-20-53-41(64)17-19-51)28-76-75-22-18-42(65)55-35(25-31-13-15-32(62)16-14-31)46(70)58-36(47(71)57-34)24-30-9-4-3-5-10-30/h3-5,9-10,13-16,29,33-39,62H,6-8,11-12,17-28,51H2,1-2H3,(H2,52,63)(H,53,64)(H,54,68)(H,55,65)(H,56,73)(H,57,71)(H,58,70)(H,59,69)(H,60,72)(H,66,67)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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215n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50342032
PNG
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C54H79N11O13S2/c1-33(2)27-38-49(73)63-41(30-44(56)67)52(76)64-42(54(78)65-25-12-16-43(65)53(77)60-37(48(72)58-31-47(70)71)15-9-11-24-57-45(68)17-8-3-4-10-23-55)32-80-79-26-22-46(69)59-39(29-35-18-20-36(66)21-19-35)50(74)62-40(51(75)61-38)28-34-13-6-5-7-14-34/h5-7,13-14,18-21,33,37-43,66H,3-4,8-12,15-17,22-32,55H2,1-2H3,(H2,56,67)(H,57,68)(H,58,72)(H,59,69)(H,60,77)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,70,71)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
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266n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50342033
PNG
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C58H87N11O13S2/c1-37(2)31-42-53(77)67-45(34-48(60)71)56(80)68-46(36-84-83-30-26-50(73)63-43(33-39-22-24-40(70)25-23-39)54(78)66-44(55(79)65-42)32-38-17-10-9-11-18-38)58(82)69-29-16-20-47(69)57(81)64-41(52(76)62-35-51(74)75)19-13-15-28-61-49(72)21-12-7-5-3-4-6-8-14-27-59/h9-11,17-18,22-25,37,41-47,70H,3-8,12-16,19-21,26-36,59H2,1-2H3,(H2,60,71)(H,61,72)(H,62,76)(H,63,73)(H,64,81)(H,65,79)(H,66,78)(H,67,77)(H,68,80)(H,74,75)/t41-,42-,43-,44-,45-,46-,47-/m0/s1
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384n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50342031
PNG
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C50H71N11O13S2/c1-29(2)23-34-45(69)59-37(26-40(52)63)48(72)60-38(50(74)61-21-8-12-39(61)49(73)56-33(44(68)54-27-43(66)67)11-6-7-20-53-41(64)17-19-51)28-76-75-22-18-42(65)55-35(25-31-13-15-32(62)16-14-31)46(70)58-36(47(71)57-34)24-30-9-4-3-5-10-30/h3-5,9-10,13-16,29,33-39,62H,6-8,11-12,17-28,51H2,1-2H3,(H2,52,63)(H,53,64)(H,54,68)(H,55,65)(H,56,73)(H,57,71)(H,58,70)(H,59,69)(H,60,72)(H,66,67)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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5.20E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50342028
PNG
(2-((S)-6-amino-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C47H66N10O12S2/c1-27(2)21-32-42(64)55-35(24-38(49)59)45(67)56-36(47(69)57-19-8-12-37(57)46(68)52-31(11-6-7-18-48)41(63)50-25-40(61)62)26-71-70-20-17-39(60)51-33(23-29-13-15-30(58)16-14-29)43(65)54-34(44(66)53-32)22-28-9-4-3-5-10-28/h3-5,9-10,13-16,27,31-37,58H,6-8,11-12,17-26,48H2,1-2H3,(H2,49,59)(H,50,63)(H,51,60)(H,52,68)(H,53,66)(H,54,65)(H,55,64)(H,56,67)(H,61,62)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
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6.71E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50342032
PNG
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C54H79N11O13S2/c1-33(2)27-38-49(73)63-41(30-44(56)67)52(76)64-42(54(78)65-25-12-16-43(65)53(77)60-37(48(72)58-31-47(70)71)15-9-11-24-57-45(68)17-8-3-4-10-23-55)32-80-79-26-22-46(69)59-39(29-35-18-20-36(66)21-19-35)50(74)62-40(51(75)61-38)28-34-13-6-5-7-14-34/h5-7,13-14,18-21,33,37-43,66H,3-4,8-12,15-17,22-32,55H2,1-2H3,(H2,56,67)(H,57,68)(H,58,72)(H,59,69)(H,60,77)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,70,71)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
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2.20E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50342033
PNG
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C58H87N11O13S2/c1-37(2)31-42-53(77)67-45(34-48(60)71)56(80)68-46(36-84-83-30-26-50(73)63-43(33-39-22-24-40(70)25-23-39)54(78)66-44(55(79)65-42)32-38-17-10-9-11-18-38)58(82)69-29-16-20-47(69)57(81)64-41(52(76)62-35-51(74)75)19-13-15-28-61-49(72)21-12-7-5-3-4-6-8-14-27-59/h9-11,17-18,22-25,37,41-47,70H,3-8,12-16,19-21,26-36,59H2,1-2H3,(H2,60,71)(H,61,72)(H,62,76)(H,63,73)(H,64,81)(H,65,79)(H,66,78)(H,67,77)(H,68,80)(H,74,75)/t41-,42-,43-,44-,45-,46-,47-/m0/s1
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3.11E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50342028
PNG
(2-((S)-6-amino-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C47H66N10O12S2/c1-27(2)21-32-42(64)55-35(24-38(49)59)45(67)56-36(47(69)57-19-8-12-37(57)46(68)52-31(11-6-7-18-48)41(63)50-25-40(61)62)26-71-70-20-17-39(60)51-33(23-29-13-15-30(58)16-14-29)43(65)54-34(44(66)53-32)22-28-9-4-3-5-10-28/h3-5,9-10,13-16,27,31-37,58H,6-8,11-12,17-26,48H2,1-2H3,(H2,49,59)(H,50,63)(H,51,60)(H,52,68)(H,53,66)(H,54,65)(H,55,64)(H,56,67)(H,61,62)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1b receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol ph...


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair