Found 42 hits of kd data for polymerid = 326,49001084 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Vasopressin V2 receptor
(BOVINE) | BDBM50016310
(CHEMBL406303 | [Mpa1Val4Sar7]AVP (Arginine-vasopre...)Show SMILES CC(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)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C44H63N13O11S2/c1-24(2)37-42(67)54-31(20-33(45)59)40(65)55-32(43(68)57(3)22-36(62)51-28(10-7-16-49-44(47)48)38(63)50-21-34(46)60)23-70-69-17-15-35(61)52-29(19-26-11-13-27(58)14-12-26)39(64)53-30(41(66)56-37)18-25-8-5-4-6-9-25/h4-6,8-9,11-14,24,28-32,37,58H,7,10,15-23H2,1-3H3,(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,61)(H,53,64)(H,54,67)(H,55,65)(H,56,66)(H4,47,48,49)/t28-,29+,30-,31-,32-,37+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]-AVP as a radioligand |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50397206
(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 |c:9| 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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.38 | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016310
(CHEMBL406303 | [Mpa1Val4Sar7]AVP (Arginine-vasopre...)Show SMILES CC(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)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C44H63N13O11S2/c1-24(2)37-42(67)54-31(20-33(45)59)40(65)55-32(43(68)57(3)22-36(62)51-28(10-7-16-49-44(47)48)38(63)50-21-34(46)60)23-70-69-17-15-35(61)52-29(19-26-11-13-27(58)14-12-26)39(64)53-30(41(66)56-37)18-25-8-5-4-6-9-25/h4-6,8-9,11-14,24,28-32,37,58H,7,10,15-23H2,1-3H3,(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,61)(H,53,64)(H,54,67)(H,55,65)(H,56,66)(H4,47,48,49)/t28-,29+,30-,31-,32-,37+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM35667
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institut f£r Biophysik
Curated by ChEMBL
| Assay Description
Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane |
J Med Chem 37: 255-9 (1994)
BindingDB Entry DOI: 10.7270/Q2H995TM |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50397210
(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 |c:9| 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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.33 | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50397209
(CHEMBL2172291)Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O |c:9| Show InChI InChI=1S/C83H100N10O17S2/c1-6-91-73-36-34-64(111(99,100)101)56-69(73)82(3,4)75(91)27-12-9-13-28-76-83(5,70-57-65(112(102,103)104)35-37-74(70)92(76)7-2)40-18-29-77(94)84-41-44-105-46-48-107-50-52-109-54-55-110-53-51-108-49-47-106-45-43-90-59-63(88-89-90)58-85-78(95)38-39-79(96)87-71-25-19-42-93(72-26-17-16-24-68(71)72)81(98)61-30-32-62(33-31-61)86-80(97)67-23-15-14-22-66(67)60-20-10-8-11-21-60/h8-17,20-24,26-28,30-37,56-57,59,71H,6-7,18-19,25,29,38-55,58H2,1-5H3,(H5-,84,85,86,87,94,95,96,97,98,99,100,101,102,103,104) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.53 | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016311
(CHEMBL413249 | [Mpa1Sar7,Drg8]VP (Vasopressin ))Show SMILES CN(CC(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C44H62N14O12S2/c1-58(22-37(64)52-27(8-5-16-50-44(48)49)38(65)51-21-35(47)62)43(70)32-23-72-71-17-15-36(63)53-29(19-25-9-11-26(59)12-10-25)40(67)55-30(18-24-6-3-2-4-7-24)41(68)54-28(13-14-33(45)60)39(66)56-31(20-34(46)61)42(69)57-32/h2-4,6-7,9-12,27-32,59H,5,8,13-23H2,1H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,65)(H,52,64)(H,53,63)(H,54,68)(H,55,67)(H,56,66)(H,57,69)(H4,48,49,50)/t27-,28-,29-,30+,31+,32+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]-AVP as a radioligand |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016313
(CHEMBL217517 | [Val4Sar7]AVP (Arginine-vasopressin...)Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C44H64N14O11S2/c1-23(2)36-42(68)55-31(18-33(46)60)40(66)56-32(43(69)58(3)20-35(62)52-28(10-7-15-50-44(48)49)38(64)51-19-34(47)61)22-71-70-21-27(45)37(63)53-29(17-25-11-13-26(59)14-12-25)39(65)54-30(41(67)57-36)16-24-8-5-4-6-9-24/h4-6,8-9,11-14,23,27-32,36,59H,7,10,15-22,45H2,1-3H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t27-,28+,29-,30+,31+,32+,36-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]-AVP as a radioligand |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016317
(CHEMBL2371674 | [Mpa1Val4MeAla7]AVP (Arginine-vaso...)Show SMILES [#6]-[#6](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7](-[#6])-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C45H65N13O11S2/c1-24(2)37-43(68)55-32(21-34(46)60)41(66)56-33(44(69)58(4)25(3)38(63)53-29(11-8-17-50-45(48)49)39(64)51-22-35(47)61)23-71-70-18-16-36(62)52-30(20-27-12-14-28(59)15-13-27)40(65)54-31(42(67)57-37)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,24-25,29-33,37,59H,8,11,16-23H2,1-4H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t25-,29-,30+,31-,32-,33-,37+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]-AVP as a radioligand |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016311
(CHEMBL413249 | [Mpa1Sar7,Drg8]VP (Vasopressin ))Show SMILES CN(CC(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C44H62N14O12S2/c1-58(22-37(64)52-27(8-5-16-50-44(48)49)38(65)51-21-35(47)62)43(70)32-23-72-71-17-15-36(63)53-29(19-25-9-11-26(59)12-10-25)40(67)55-30(18-24-6-3-2-4-7-24)41(68)54-28(13-14-33(45)60)39(66)56-31(20-34(46)61)42(69)57-32/h2-4,6-7,9-12,27-32,59H,5,8,13-23H2,1H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,65)(H,52,64)(H,53,63)(H,54,68)(H,55,67)(H,56,66)(H,57,69)(H4,48,49,50)/t27-,28-,29-,30+,31+,32+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016312
(CHEMBL265119 | [Sar7D-Arg8]VP (Vasopressin ))Show SMILES CN(CC(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C44H63N15O12S2/c1-59(20-36(64)53-27(8-5-15-51-44(49)50)38(66)52-19-35(48)63)43(71)32-22-73-72-21-26(45)37(65)55-29(17-24-9-11-25(60)12-10-24)41(69)56-30(16-23-6-3-2-4-7-23)40(68)54-28(13-14-33(46)61)39(67)57-31(18-34(47)62)42(70)58-32/h2-4,6-7,9-12,26-32,60H,5,8,13-22,45H2,1H3,(H2,46,61)(H2,47,62)(H2,48,63)(H,52,66)(H,53,64)(H,54,68)(H,55,65)(H,56,69)(H,57,67)(H,58,70)(H4,49,50,51)/t26-,27-,28-,29-,30+,31+,32+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]-AVP as a radioligand |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016313
(CHEMBL217517 | [Val4Sar7]AVP (Arginine-vasopressin...)Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C44H64N14O11S2/c1-23(2)36-42(68)55-31(18-33(46)60)40(66)56-32(43(69)58(3)20-35(62)52-28(10-7-15-50-44(48)49)38(64)51-19-34(47)61)22-71-70-21-27(45)37(63)53-29(17-25-11-13-26(59)14-12-25)39(65)54-30(41(67)57-36)16-24-8-5-4-6-9-24/h4-6,8-9,11-14,23,27-32,36,59H,7,10,15-22,45H2,1-3H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t27-,28+,29-,30+,31+,32+,36-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016317
(CHEMBL2371674 | [Mpa1Val4MeAla7]AVP (Arginine-vaso...)Show SMILES [#6]-[#6](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7](-[#6])-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C45H65N13O11S2/c1-24(2)37-43(68)55-32(21-34(46)60)41(66)56-33(44(69)58(4)25(3)38(63)53-29(11-8-17-50-45(48)49)39(64)51-22-35(47)61)23-71-70-18-16-36(62)52-30(20-27-12-14-28(59)15-13-27)40(65)54-31(42(67)57-37)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,24-25,29-33,37,59H,8,11,16-23H2,1-4H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t25-,29-,30+,31-,32-,33-,37+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
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UniChem
Similars
| PubMed
| n/a | n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016312
(CHEMBL265119 | [Sar7D-Arg8]VP (Vasopressin ))Show SMILES CN(CC(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C44H63N15O12S2/c1-59(20-36(64)53-27(8-5-15-51-44(49)50)38(66)52-19-35(48)63)43(71)32-22-73-72-21-26(45)37(65)55-29(17-24-9-11-25(60)12-10-24)41(69)56-30(16-23-6-3-2-4-7-23)40(68)54-28(13-14-33(46)61)39(67)57-31(18-34(47)62)42(70)58-32/h2-4,6-7,9-12,26-32,60H,5,8,13-22,45H2,1H3,(H2,46,61)(H2,47,62)(H2,48,63)(H,52,66)(H,53,64)(H,54,68)(H,55,65)(H,56,69)(H,57,67)(H,58,70)(H4,49,50,51)/t26-,27-,28-,29-,30+,31+,32+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50397207
(CHEMBL2172288)Show SMILES OC(=O)c1cc(NC(=S)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(30.96,-29.16,;30.97,-27.63,;29.62,-28.36,;31.01,-26.09,;29.7,-25.29,;29.75,-23.75,;28.43,-22.94,;28.48,-21.4,;29.83,-20.67,;27.16,-20.6,;27.2,-19.06,;25.89,-18.25,;25.93,-16.71,;24.62,-15.91,;24.66,-14.37,;23.34,-13.56,;23.38,-12.02,;22.07,-11.22,;22.11,-9.68,;20.8,-8.87,;19.48,-9.65,;19.48,-11.19,;18.26,-12.12,;18.78,-13.58,;17.91,-14.85,;16.37,-14.85,;15.6,-16.19,;16.38,-17.52,;14.06,-16.19,;13.3,-17.54,;11.74,-17.54,;10.97,-16.2,;10.98,-18.88,;11.73,-20.18,;13.29,-20.17,;14.27,-21.36,;13.94,-22.87,;12.54,-23.56,;12.52,-25.13,;11.18,-25.89,;13.86,-25.9,;15.21,-25.14,;16.53,-25.91,;16.52,-27.45,;17.84,-28.22,;19.18,-27.45,;19.18,-25.91,;20.51,-28.23,;20.5,-29.78,;21.83,-30.55,;23.18,-29.78,;23.18,-28.24,;21.83,-27.46,;21.84,-25.92,;23.18,-25.16,;23.18,-23.63,;21.85,-22.85,;20.5,-23.63,;20.5,-25.16,;15.18,-28.22,;13.85,-27.45,;11.14,-22.9,;10.03,-23.98,;8.54,-23.56,;8.15,-22.04,;9.28,-20.96,;10.77,-21.39,;20.31,-13.54,;20.75,-12.06,;31.09,-23.01,;32.41,-23.81,;32.37,-25.36,;33.68,-26.15,;34.98,-25.34,;34.93,-23.82,;36.22,-23,;37.58,-23.72,;38.89,-22.91,;37.63,-25.26,;36.33,-26.06,;36.4,-27.61,;35.08,-28.42,;35.13,-29.95,;33.83,-30.76,;33.88,-32.3,;32.47,-30.03,;32.43,-28.5,;33.73,-27.69,)| Show InChI InChI=1S/C66H63N9O12S/c76-47-21-24-53-58(38-47)87-59-39-48(77)22-25-54(59)62(53)50-23-20-45(37-55(50)65(82)83)70-66(88)67-28-31-84-33-35-86-36-34-85-32-30-74-41-46(72-73-74)40-68-60(78)26-27-61(79)71-56-14-8-29-75(57-15-7-6-13-52(56)57)64(81)43-16-18-44(19-17-43)69-63(80)51-12-5-4-11-49(51)42-9-2-1-3-10-42/h1-7,9-13,15-25,37-39,41,56,76H,8,14,26-36,40H2,(H,68,78)(H,69,80)(H,71,79)(H,82,83)(H2,67,70,88) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
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UniChem
| Article
PubMed
| n/a | n/a | n/a | 11.1 | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016314
(CHEMBL269715 | [MeAla7D-Arg8]VP (Vasopressin ))Show SMILES C[C@@H](N(C)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C45H65N15O12S2/c1-23(37(65)54-28(9-6-16-52-45(50)51)39(67)53-20-36(49)64)60(2)44(72)33-22-74-73-21-27(46)38(66)56-30(18-25-10-12-26(61)13-11-25)42(70)57-31(17-24-7-4-3-5-8-24)41(69)55-29(14-15-34(47)62)40(68)58-32(19-35(48)63)43(71)59-33/h3-5,7-8,10-13,23,27-33,61H,6,9,14-22,46H2,1-2H3,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,67)(H,54,65)(H,55,69)(H,56,66)(H,57,70)(H,58,68)(H,59,71)(H4,50,51,52)/t23-,27-,28-,29-,30-,31+,32+,33+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
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| n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016314
(CHEMBL269715 | [MeAla7D-Arg8]VP (Vasopressin ))Show SMILES C[C@@H](N(C)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C45H65N15O12S2/c1-23(37(65)54-28(9-6-16-52-45(50)51)39(67)53-20-36(49)64)60(2)44(72)33-22-74-73-21-27(46)38(66)56-30(18-25-10-12-26(61)13-11-25)42(70)57-31(17-24-7-4-3-5-8-24)41(69)55-29(14-15-34(47)62)40(68)58-32(19-35(48)63)43(71)59-33/h3-5,7-8,10-13,23,27-33,61H,6,9,14-22,46H2,1-2H3,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,67)(H,54,65)(H,55,69)(H,56,66)(H,57,70)(H,58,68)(H,59,71)(H4,50,51,52)/t23-,27-,28-,29-,30-,31+,32+,33+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
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| n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50030088
(CHEMBL438387 | [Mca1,D-Tyr(OEt)2,Sar7]AVP)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1 Show InChI InChI=1S/C51H74N14O12S2/c1-3-77-32-16-14-31(15-17-32)24-35-46(73)62-36(23-30-11-6-4-7-12-30)47(74)61-34(18-19-39(52)66)45(72)63-37(25-40(53)67)48(75)64-38(29-78-79-51(26-42(69)60-35)20-8-5-9-21-51)49(76)65(2)28-43(70)59-33(13-10-22-57-50(55)56)44(71)58-27-41(54)68/h4,6-7,11-12,14-17,33-38H,3,5,8-10,13,18-29H2,1-2H3,(H2,52,66)(H2,53,67)(H2,54,68)(H,58,71)(H,59,70)(H,60,69)(H,61,74)(H,62,73)(H,63,72)(H,64,75)(H4,55,56,57)/t33-,34-,35-,36-,37-,38-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institut f£r Biophysik
Curated by ChEMBL
| Assay Description
Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane |
J Med Chem 37: 255-9 (1994)
BindingDB Entry DOI: 10.7270/Q2H995TM |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016315
(CHEMBL437631 | [Val4MeAla7]AVP (Arginine-vasopress...)Show SMILES CC(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)N(C)[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C45H65N13O11S2/c1-24(2)37-43(68)55-32(21-34(46)60)41(66)56-33(44(69)58(4)25(3)38(63)53-29(11-8-17-50-45(48)49)39(64)51-22-35(47)61)23-71-70-18-16-36(62)52-30(20-27-12-14-28(59)15-13-27)40(65)54-31(42(67)57-37)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,24-25,29-33,37,59H,8,11,16-23H2,1-4H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t25-,29+,30-,31+,32+,33+,37-/m1/s1 | Reactome pathway
KEGG
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UniChem
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| n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]-AVP as a radioligand |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50077135
(CHEMBL3416750)Show SMILES CCN1\C(=C/C=C/C=C/C2=[N+](CC)c3cc(ccc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCNC(=O)CCc2ccc(cc2)S(=O)(=O)N(CC(=O)N\N=C2/C(=O)Nc3ccccc23)c2ccc(Cl)cc2)c2cc(ccc12)S(O)(=O)=O |c:9| Show InChI InChI=1S/C59H63ClN8O12S3/c1-6-66-49-31-29-43(82(75,76)77)36-47(49)59(5,52(66)17-10-8-9-16-51-58(3,4)46-30-28-44(83(78,79)80)37-50(46)67(51)7-2)33-13-18-53(69)61-34-35-62-54(70)32-21-39-19-26-42(27-20-39)81(73,74)68(41-24-22-40(60)23-25-41)38-55(71)64-65-56-45-14-11-12-15-48(45)63-57(56)72/h8-12,14-17,19-20,22-31,36-37H,6-7,13,18,21,32-35,38H2,1-5H3,(H5-,61,62,63,64,65,69,70,71,72,75,76,77,78,79,80) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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| Article
PubMed
| n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Binding affinity to V2R (unknown origin) expressed in HEK293 cells by TR-FRET assay |
J Med Chem 58: 2547-52 (2015)
Article DOI: 10.1021/jm501395b
BindingDB Entry DOI: 10.7270/Q2TB18KT |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016315
(CHEMBL437631 | [Val4MeAla7]AVP (Arginine-vasopress...)Show SMILES CC(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)N(C)[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C45H65N13O11S2/c1-24(2)37-43(68)55-32(21-34(46)60)41(66)56-33(44(69)58(4)25(3)38(63)53-29(11-8-17-50-45(48)49)39(64)51-22-35(47)61)23-71-70-18-16-36(62)52-30(20-27-12-14-28(59)15-13-27)40(65)54-31(42(67)57-37)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,24-25,29-33,37,59H,8,11,16-23H2,1-4H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t25-,29+,30-,31+,32+,33+,37-/m1/s1 | Reactome pathway
KEGG
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| n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50030085
(CHEMBL415230 | [Mpa1,D-Tyr(OEt)2,Sar7]AVT)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1 Show InChI InChI=1S/C48H76N14O12S2/c1-5-27(3)40-45(72)58-31(16-17-35(49)63)42(69)59-33(22-36(50)64)43(70)60-34(46(73)62(4)25-39(67)56-30(11-10-20-54-47(52)53)41(68)55-24-37(51)65)26-75-76-48(18-8-7-9-19-48)23-38(66)57-32(44(71)61-40)21-28-12-14-29(15-13-28)74-6-2/h12-15,27,30-34,40H,5-11,16-26H2,1-4H3,(H2,49,63)(H2,50,64)(H2,51,65)(H,55,68)(H,56,67)(H,57,66)(H,58,72)(H,59,69)(H,60,70)(H,61,71)(H4,52,53,54)/t27-,30-,31-,32-,33-,34+,40-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institut f£r Biophysik
Curated by ChEMBL
| Assay Description
Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane |
J Med Chem 37: 255-9 (1994)
BindingDB Entry DOI: 10.7270/Q2H995TM |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016309
(CHEMBL410025 | [Phe2Sar7]AVP (Arginine-vasopressin...)Show SMILES CN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C44H63N15O11S2/c1-59(21-36(63)53-27(13-8-16-51-44(49)50)38(65)52-20-35(48)62)43(70)32-23-72-71-22-26(45)37(64)55-29(17-24-9-4-2-5-10-24)41(68)56-30(18-25-11-6-3-7-12-25)40(67)54-28(14-15-33(46)60)39(66)57-31(19-34(47)61)42(69)58-32/h2-7,9-12,26-32H,8,13-23,45H2,1H3,(H2,46,60)(H2,47,61)(H2,48,62)(H,52,65)(H,53,63)(H,54,67)(H,55,64)(H,56,68)(H,57,66)(H,58,69)(H4,49,50,51)/t26-,27+,28-,29-,30+,31+,32+/m1/s1 | Reactome pathway
KEGG
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| n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]AVP as a radioligand |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016309
(CHEMBL410025 | [Phe2Sar7]AVP (Arginine-vasopressin...)Show SMILES CN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C44H63N15O11S2/c1-59(21-36(63)53-27(13-8-16-51-44(49)50)38(65)52-20-35(48)62)43(70)32-23-72-71-22-26(45)37(64)55-29(17-24-9-4-2-5-10-24)41(68)56-30(18-25-11-6-3-7-12-25)40(67)54-28(14-15-33(46)60)39(66)57-31(19-34(47)61)42(69)58-32/h2-7,9-12,26-32H,8,13-23,45H2,1H3,(H2,46,60)(H2,47,61)(H2,48,62)(H,52,65)(H,53,63)(H,54,67)(H,55,64)(H,56,68)(H,57,66)(H,58,69)(H4,49,50,51)/t26-,27+,28-,29-,30+,31+,32+/m1/s1 | Reactome pathway
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| n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016318
(CHEMBL411357 | [Mpa1,MeAla7,D-Arg8]VP (Vasopressin...)Show SMILES C[C@@H](N(C)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C45H64N14O12S2/c1-24(38(65)54-28(9-6-17-51-45(49)50)39(66)52-22-36(48)63)59(2)44(71)33-23-73-72-18-16-37(64)53-30(20-26-10-12-27(60)13-11-26)41(68)56-31(19-25-7-4-3-5-8-25)42(69)55-29(14-15-34(46)61)40(67)57-32(21-35(47)62)43(70)58-33/h3-5,7-8,10-13,24,28-33,60H,6,9,14-23H2,1-2H3,(H2,46,61)(H2,47,62)(H2,48,63)(H,52,66)(H,53,64)(H,54,65)(H,55,69)(H,56,68)(H,57,67)(H,58,70)(H4,49,50,51)/t24-,28-,29-,30-,31+,32+,33+/m1/s1 | Reactome pathway
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| n/a | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]AVP as a radioligand |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016318
(CHEMBL411357 | [Mpa1,MeAla7,D-Arg8]VP (Vasopressin...)Show SMILES C[C@@H](N(C)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C45H64N14O12S2/c1-24(38(65)54-28(9-6-17-51-45(49)50)39(66)52-22-36(48)63)59(2)44(71)33-23-73-72-18-16-37(64)53-30(20-26-10-12-27(60)13-11-26)41(68)56-31(19-25-7-4-3-5-8-25)42(69)55-29(14-15-34(46)61)40(67)57-32(21-35(47)62)43(70)58-33/h3-5,7-8,10-13,24,28-33,60H,6,9,14-23H2,1-2H3,(H2,46,61)(H2,47,62)(H2,48,63)(H,52,66)(H,53,64)(H,54,65)(H,55,69)(H,56,68)(H,57,67)(H,58,70)(H4,49,50,51)/t24-,28-,29-,30-,31+,32+,33+/m1/s1 | Reactome pathway
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| n/a | n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50030081
(CHEMBL265017 | [Mca1,D-Phe2,Sar7]AVP)Show SMILES CN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C49H70N14O11S2/c1-63(27-41(68)57-31(16-11-21-55-48(53)54)42(69)56-26-39(52)66)47(74)36-28-75-76-49(19-9-4-10-20-49)25-40(67)58-33(22-29-12-5-2-6-13-29)44(71)60-34(23-30-14-7-3-8-15-30)45(72)59-32(17-18-37(50)64)43(70)61-35(24-38(51)65)46(73)62-36/h2-3,5-8,12-15,31-36H,4,9-11,16-28H2,1H3,(H2,50,64)(H2,51,65)(H2,52,66)(H,56,69)(H,57,68)(H,58,67)(H,59,72)(H,60,71)(H,61,70)(H,62,73)(H4,53,54,55)/t31-,32-,33-,34-,35-,36-/m0/s1 | Reactome pathway
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| n/a | n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institut f£r Biophysik
Curated by ChEMBL
| Assay Description
Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane |
J Med Chem 37: 255-9 (1994)
BindingDB Entry DOI: 10.7270/Q2H995TM |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016316
(CHEMBL413706 | [Phe2MeAla7]AVP (Arginine-vasopress...)Show SMILES C[C@@H](N(C)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C45H65N15O11S2/c1-24(37(64)54-28(14-9-17-52-45(50)51)39(66)53-21-36(49)63)60(2)44(71)33-23-73-72-22-27(46)38(65)56-30(18-25-10-5-3-6-11-25)42(69)57-31(19-26-12-7-4-8-13-26)41(68)55-29(15-16-34(47)61)40(67)58-32(20-35(48)62)43(70)59-33/h3-8,10-13,24,27-33H,9,14-23,46H2,1-2H3,(H2,47,61)(H2,48,62)(H2,49,63)(H,53,66)(H,54,64)(H,55,68)(H,56,65)(H,57,69)(H,58,67)(H,59,70)(H4,50,51,52)/t24-,27-,28+,29-,30-,31+,32+,33+/m1/s1 | Reactome pathway
KEGG
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| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]-AVP as a radioligand |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50016316
(CHEMBL413706 | [Phe2MeAla7]AVP (Arginine-vasopress...)Show SMILES C[C@@H](N(C)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C45H65N15O11S2/c1-24(37(64)54-28(14-9-17-52-45(50)51)39(66)53-21-36(49)63)60(2)44(71)33-23-73-72-22-27(46)38(65)56-30(18-25-10-5-3-6-11-25)42(69)57-31(19-26-12-7-4-8-13-26)41(68)55-29(15-16-34(47)61)40(67)58-32(20-35(48)62)43(70)59-33/h3-8,10-13,24,27-33H,9,14-23,46H2,1-2H3,(H2,47,61)(H2,48,62)(H2,49,63)(H,53,66)(H,54,64)(H,55,68)(H,56,65)(H,57,69)(H,58,67)(H,59,70)(H4,50,51,52)/t24-,27-,28+,29-,30-,31+,32+,33+/m1/s1 | Reactome pathway
KEGG
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| CHEMBL
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| n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla |
J Med Chem 29: 96-9 (1986)
BindingDB Entry DOI: 10.7270/Q2P849V1 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50030080
(CHEMBL411420 | [Mca1,D-Tyr(OEt)2,Sar7]AVT)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1 Show InChI InChI=1S/C43H68N14O12S2/c1-5-23(3)36-41(67)53-27(13-14-31(44)58)38(64)54-29(19-32(45)59)39(65)55-30(42(68)57(4)21-35(62)51-26(8-7-16-49-43(47)48)37(63)50-20-33(46)60)22-71-70-17-15-34(61)52-28(40(66)56-36)18-24-9-11-25(12-10-24)69-6-2/h9-12,23,26-30,36H,5-8,13-22H2,1-4H3,(H2,44,58)(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,61)(H,53,67)(H,54,64)(H,55,65)(H,56,66)(H4,47,48,49)/t23-,26-,27-,28-,29-,30+,36-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institut f£r Biophysik
Curated by ChEMBL
| Assay Description
Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane |
J Med Chem 37: 255-9 (1994)
BindingDB Entry DOI: 10.7270/Q2H995TM |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50077136
(CHEMBL3416749)Show SMILES OC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)NCCCCCC(=O)NCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1 |(2.68,2.06,;2.67,3.09,;3.74,3.7,;1.34,3.85,;1.34,5.39,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-0,7.7,;1.06,8.32,;-1.34,8.47,;-1.34,10.01,;-2.68,10.78,;-2.68,12.32,;-4.02,13.09,;-4.02,14.63,;-5.36,15.39,;-6.42,14.78,;-5.36,16.93,;-6.7,17.7,;-6.7,19.24,;-8.04,20.01,;-8.04,21.55,;-6.98,22.17,;-9.38,22.32,;-9.38,23.86,;-10.72,24.63,;-10.73,26.17,;-12.06,26.93,;-13.39,26.16,;-13.39,24.62,;-12.05,23.85,;-14.73,26.92,;-14.74,28.15,;-15.8,27.53,;-16.06,26.15,;-17.4,26.91,;-18.73,26.14,;-18.73,24.9,;-20.07,26.9,;-21.4,26.12,;-22.74,26.89,;-22.89,28.41,;-21.97,29.23,;-24.37,28.72,;-25.14,27.4,;-26.66,27.09,;-27.14,25.61,;-26.11,24.47,;-24.58,24.78,;-24.12,26.25,;-16.06,24.6,;-14.72,23.84,;-14.72,22.3,;-16.05,21.52,;-16.05,20.29,;-17.39,22.29,;-17.39,23.83,)| Show InChI InChI=1S/C54H48ClN7O12S/c55-34-13-15-35(16-14-34)62(31-49(67)60-61-51-40-6-3-4-7-44(40)59-53(51)69)75(72,73)38-19-9-32(10-20-38)11-24-48(66)57-27-26-56-47(65)8-2-1-5-25-58-52(68)33-12-21-39(43(28-33)54(70)71)50-41-22-17-36(63)29-45(41)74-46-30-37(64)18-23-42(46)50/h3-4,6-7,9-10,12-23,28-30,63H,1-2,5,8,11,24-27,31H2,(H,56,65)(H,57,66)(H,58,68)(H,60,67)(H,70,71)(H,59,61,69) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Binding affinity to V2R (unknown origin) expressed in HEK293 cells by TR-FRET assay |
J Med Chem 58: 2547-52 (2015)
Article DOI: 10.1021/jm501395b
BindingDB Entry DOI: 10.7270/Q2TB18KT |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50368886
(CHEMBL1793955)Show SMILES CC[C@H](C)[C@@H]1NC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C46H72N14O11S2/c1-4-26(2)38-43(70)57-30(20-27-12-7-5-8-13-27)41(68)55-29(15-16-33(47)61)40(67)56-31(21-34(48)62)42(69)58-32(25-72-73-46(22-36(64)59-38)17-9-6-10-18-46)44(71)60(3)24-37(65)54-28(14-11-19-52-45(50)51)39(66)53-23-35(49)63/h5,7-8,12-13,26,28-32,38H,4,6,9-11,14-25H2,1-3H3,(H2,47,61)(H2,48,62)(H2,49,63)(H,53,66)(H,54,65)(H,55,68)(H,56,67)(H,57,70)(H,58,69)(H,59,64)(H4,50,51,52)/t26-,28-,29-,30-,31-,32-,38-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| n/a | n/a | n/a | 182 | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institut f£r Biophysik
Curated by ChEMBL
| Assay Description
Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane |
J Med Chem 37: 255-9 (1994)
BindingDB Entry DOI: 10.7270/Q2H995TM |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50030089
(CHEMBL384292 | [Mca1,D-Tyr2,Sar7]AVP)Show SMILES CN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C49H70N14O12S2/c1-63(26-41(69)57-31(11-8-20-55-48(53)54)42(70)56-25-39(52)67)47(75)36-27-76-77-49(18-6-3-7-19-49)24-40(68)58-33(22-29-12-14-30(64)15-13-29)44(72)60-34(21-28-9-4-2-5-10-28)45(73)59-32(16-17-37(50)65)43(71)61-35(23-38(51)66)46(74)62-36/h2,4-5,9-10,12-15,31-36,64H,3,6-8,11,16-27H2,1H3,(H2,50,65)(H2,51,66)(H2,52,67)(H,56,70)(H,57,69)(H,58,68)(H,59,73)(H,60,72)(H,61,71)(H,62,74)(H4,53,54,55)/t31-,32-,33-,34-,35-,36-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institut f£r Biophysik
Curated by ChEMBL
| Assay Description
Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane |
J Med Chem 37: 255-9 (1994)
BindingDB Entry DOI: 10.7270/Q2H995TM |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50030086
(CHEMBL265264 | [Mca1,Sar7]AVP)Show SMILES CN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C49H70N14O12S2/c1-63(26-41(69)57-31(11-8-20-55-48(53)54)42(70)56-25-39(52)67)47(75)36-27-76-77-49(18-6-3-7-19-49)24-40(68)58-33(22-29-12-14-30(64)15-13-29)44(72)60-34(21-28-9-4-2-5-10-28)45(73)59-32(16-17-37(50)65)43(71)61-35(23-38(51)66)46(74)62-36/h2,4-5,9-10,12-15,31-36,64H,3,6-8,11,16-27H2,1H3,(H2,50,65)(H2,51,66)(H2,52,67)(H,56,70)(H,57,69)(H,58,68)(H,59,73)(H,60,72)(H,61,71)(H,62,74)(H4,53,54,55)/t31-,32-,33-,34-,35-,36+/m0/s1 | Reactome pathway
KEGG
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| CHEMBL
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UniChem
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| n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institut f£r Biophysik
Curated by ChEMBL
| Assay Description
Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane |
J Med Chem 37: 255-9 (1994)
BindingDB Entry DOI: 10.7270/Q2H995TM |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50030083
(CHEMBL414582 | [Mca1,D-Phe2,Sar7]AVT)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C46H72N14O11S2/c1-4-26(2)38-43(70)56-29(15-16-33(47)61)40(67)57-31(21-34(48)62)41(68)58-32(44(71)60(3)24-37(65)54-28(14-11-19-52-45(50)51)39(66)53-23-35(49)63)25-72-73-46(17-9-6-10-18-46)22-36(64)55-30(42(69)59-38)20-27-12-7-5-8-13-27/h5,7-8,12-13,26,28-32,38H,4,6,9-11,14-25H2,1-3H3,(H2,47,61)(H2,48,62)(H2,49,63)(H,53,66)(H,54,65)(H,55,64)(H,56,70)(H,57,67)(H,58,68)(H,59,69)(H4,50,51,52)/t26-,28-,29-,30-,31-,32+,38-/m0/s1 | Reactome pathway
KEGG
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UniChem
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| n/a | n/a | n/a | 311 | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institut f£r Biophysik
Curated by ChEMBL
| Assay Description
Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane |
J Med Chem 37: 255-9 (1994)
BindingDB Entry DOI: 10.7270/Q2H995TM |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50077137
(CHEMBL3416754)Show SMILES [O-]C(=O)C(F)(F)F.CCN1\C(=C/C=C/C=C/C2=[N+](CC)c3cc(ccc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2nnc(N3CC(C3)Oc3ccc(F)cc3Cl)n2-c2ccc(OC)[nH+]c2)c2cc(ccc12)S(O)(=O)=O |c:15| Show InChI InChI=1S/C66H86ClFN8O17S2/c1-7-74-56-21-19-51(94(78,79)80)42-54(56)66(5,60(74)14-11-9-10-13-59-65(3,4)53-20-18-52(95(81,82)83)43-57(53)75(59)8-2)24-12-15-62(77)69-25-26-85-27-28-86-29-30-87-31-32-88-33-34-89-35-36-90-37-38-91-39-40-92-47-61-71-72-64(76(61)49-17-23-63(84-6)70-44-49)73-45-50(46-73)93-58-22-16-48(68)41-55(58)67/h9-11,13-14,16-23,41-44,50H,7-8,12,15,24-40,45-47H2,1-6H3,(H2-,69,77,78,79,80,81,82,83)/p+1 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | n/a | 353 | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Binding affinity to V2R (unknown origin) expressed in HEK293 cells by TR-FRET assay |
J Med Chem 58: 2547-52 (2015)
Article DOI: 10.1021/jm501395b
BindingDB Entry DOI: 10.7270/Q2TB18KT |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50030079
(CHEMBL87636 | [Mpa1,D-Phe2,Sar7]AVT)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C41H64N14O11S2/c1-4-22(2)34-39(65)51-25(12-13-29(42)56)36(62)52-27(18-30(43)57)37(63)53-28(21-68-67-16-14-32(59)50-26(38(64)54-34)17-23-9-6-5-7-10-23)40(66)55(3)20-33(60)49-24(11-8-15-47-41(45)46)35(61)48-19-31(44)58/h5-7,9-10,22,24-28,34H,4,8,11-21H2,1-3H3,(H2,42,56)(H2,43,57)(H2,44,58)(H,48,61)(H,49,60)(H,50,59)(H,51,65)(H,52,62)(H,53,63)(H,54,64)(H4,45,46,47)/t22-,24-,25-,26-,27-,28+,34-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 421 | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institut f£r Biophysik
Curated by ChEMBL
| Assay Description
Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane |
J Med Chem 37: 255-9 (1994)
BindingDB Entry DOI: 10.7270/Q2H995TM |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50077138
(CHEMBL3416753)Show SMILES [O-]C(=O)C(F)(F)F.CCN1\C(=C/C=C/C=C/C2=[N+](CC)c3cc(ccc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCOCc2nnc(N3CC(C3)Oc3ccc(F)cc3Cl)n2-c2ccc(OC)[nH+]c2)c2cc(ccc12)S(O)(=O)=O |c:15| Show InChI InChI=1S/C58H70ClFN8O13S2/c1-7-66-48-21-19-43(82(70,71)72)34-46(48)58(5,52(66)14-11-9-10-13-51-57(3,4)45-20-18-44(83(73,74)75)35-49(45)67(51)8-2)24-12-15-54(69)61-25-26-77-27-28-78-29-30-79-31-32-80-39-53-63-64-56(68(53)41-17-23-55(76-6)62-36-41)65-37-42(38-65)81-50-22-16-40(60)33-47(50)59/h9-11,13-14,16-23,33-36,42H,7-8,12,15,24-32,37-39H2,1-6H3,(H2-,61,69,70,71,72,73,74,75)/p+1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PubMed
| n/a | n/a | n/a | 509 | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Binding affinity to V2R (unknown origin) expressed in HEK293 cells by TR-FRET assay |
J Med Chem 58: 2547-52 (2015)
Article DOI: 10.1021/jm501395b
BindingDB Entry DOI: 10.7270/Q2TB18KT |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50030077
(CHEMBL330022 | [Mca1,D-Tyr(OMe)2,Sar7]AVT)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N(C)CC(=O)NCC(N)=O Show InChI InChI=1S/C41H61N11O12S2/c1-5-22(2)35-39(61)47-25(12-13-30(42)53)36(58)48-27(18-31(43)54)37(59)49-28(40(62)52-15-6-7-29(52)41(63)51(3)20-34(57)45-19-32(44)55)21-66-65-16-14-33(56)46-26(38(60)50-35)17-23-8-10-24(64-4)11-9-23/h8-11,22,25-29,35H,5-7,12-21H2,1-4H3,(H2,42,53)(H2,43,54)(H2,44,55)(H,45,57)(H,46,56)(H,47,61)(H,48,58)(H,49,59)(H,50,60)/t22-,25-,26-,27-,28+,29-,35-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 811 | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institut f£r Biophysik
Curated by ChEMBL
| Assay Description
Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane |
J Med Chem 37: 255-9 (1994)
BindingDB Entry DOI: 10.7270/Q2H995TM |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50077139
(CHEMBL3416752)Show SMILES [O-]C(=O)C(F)(F)F.COc1ccc(c[nH+]1)-n1c(COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCNC(=O)c2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nnc1N1CC(C1)Oc1ccc(F)cc1Cl |(9.24,30.38,;9.24,29.14,;8.17,28.53,;10.57,28.37,;11.64,28.99,;11.64,27.76,;10.57,27.14,;-30.83,47.13,;-29.98,46.24,;-28.48,46.61,;-27.42,45.5,;-25.92,45.86,;-25.5,47.34,;-26.56,48.45,;-28.05,48.09,;-24.03,47.82,;-22.79,46.94,;-22.78,45.4,;-21.45,44.63,;-21.44,43.09,;-20.11,42.32,;-20.1,40.78,;-18.77,40.02,;-18.76,38.48,;-17.43,37.71,;-17.42,36.17,;-16.09,35.4,;-16.08,33.86,;-14.75,33.09,;-14.74,31.55,;-13.41,30.78,;-13.4,29.24,;-12.06,28.48,;-12.06,26.93,;-10.72,26.17,;-10.72,24.63,;-9.38,23.86,;-9.38,22.32,;-8.04,21.55,;-8.04,20.01,;-6.7,19.24,;-6.7,17.7,;-5.36,16.93,;-5.36,15.39,;-6.42,14.77,;-4.02,14.63,;-4.02,13.09,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-0,7.7,;1.06,8.32,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-21.54,47.83,;-22.02,49.29,;-23.56,49.29,;-24.47,50.53,;-25.93,50.85,;-25.57,52.35,;-24.07,51.98,;-26.36,53.66,;-25.62,55.01,;-24.08,55.04,;-23.33,56.39,;-24.13,57.71,;-23.54,58.79,;-25.67,57.68,;-26.41,56.33,;-27.65,56.31,)| Show InChI InChI=1S/C61H71ClFN7O17/c1-77-57-15-8-43(37-66-57)70-55(67-68-61(70)69-38-46(39-69)86-52-14-7-42(63)34-51(52)62)40-85-32-31-84-30-29-83-28-27-82-26-25-81-24-23-80-22-21-79-20-19-78-18-17-64-56(73)5-3-2-4-16-65-59(74)41-6-11-47(50(33-41)60(75)76)58-48-12-9-44(71)35-53(48)87-54-36-45(72)10-13-49(54)58/h6-15,33-37,46,71H,2-5,16-32,38-40H2,1H3,(H,64,73)(H,65,74)(H,75,76)/p+1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Binding affinity to V2R (unknown origin) expressed in HEK293 cells by TR-FRET assay |
J Med Chem 58: 2547-52 (2015)
Article DOI: 10.1021/jm501395b
BindingDB Entry DOI: 10.7270/Q2TB18KT |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50077134
(CHEMBL3416751)Show SMILES [O-]C(=O)C(F)(F)F.COc1ccc(c[nH+]1)-n1c(COCCOCCOCCOCCNC(=O)CCCCCNC(=O)c2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nnc1N1CC(C1)Oc1ccc(F)cc1Cl |(1.33,2,;1.33,.77,;.27,.15,;2.67,,;3.74,.62,;3.74,-.62,;2.67,-1.23,;6.78,11.83,;7.64,10.94,;9.13,11.31,;10.2,10.2,;11.69,10.57,;12.12,12.04,;11.06,13.16,;9.56,12.79,;13.58,12.53,;14.83,11.64,;14.83,10.1,;16.17,9.34,;16.17,7.79,;17.51,7.03,;17.51,5.49,;18.85,4.72,;18.86,3.18,;20.19,2.41,;20.2,.87,;21.53,.1,;21.54,-1.44,;22.87,-2.21,;22.88,-3.75,;24.21,-4.51,;24.22,-6.06,;23.15,-6.67,;25.55,-6.82,;25.56,-8.36,;26.89,-9.13,;26.9,-10.67,;28.23,-11.44,;28.24,-12.98,;29.57,-13.75,;30.64,-13.13,;29.58,-15.29,;28.25,-16.06,;28.25,-17.6,;29.58,-18.37,;30.91,-17.6,;30.91,-16.06,;32.25,-18.36,;32.25,-19.39,;33.32,-17.75,;29.58,-19.91,;28.24,-20.68,;26.91,-19.91,;25.58,-20.68,;25.58,-22.22,;24.51,-22.84,;26.91,-22.99,;28.24,-22.22,;29.58,-22.99,;30.89,-22.22,;32.24,-22.99,;33.58,-22.22,;34.64,-22.84,;33.58,-20.68,;32.24,-19.91,;30.89,-20.68,;16.08,12.53,;15.6,13.99,;14.06,13.99,;13.15,15.24,;11.69,15.55,;12.05,17.05,;13.55,16.69,;11.26,18.36,;12,19.71,;13.54,19.74,;14.28,21.09,;13.49,22.41,;14.08,23.49,;11.95,22.38,;11.2,21.03,;9.97,21.01,)| Show InChI InChI=1S/C53H55ClFN7O13/c1-69-49-15-8-35(29-58-49)62-47(59-60-53(62)61-30-38(31-61)74-44-14-7-34(55)26-43(44)54)32-73-24-23-72-22-21-71-20-19-70-18-17-56-48(65)5-3-2-4-16-57-51(66)33-6-11-39(42(25-33)52(67)68)50-40-12-9-36(63)27-45(40)75-46-28-37(64)10-13-41(46)50/h6-15,25-29,38,63H,2-5,16-24,30-32H2,1H3,(H,56,65)(H,57,66)(H,67,68)/p+1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Binding affinity to V2R (unknown origin) expressed in HEK293 cells by TR-FRET assay |
J Med Chem 58: 2547-52 (2015)
Article DOI: 10.1021/jm501395b
BindingDB Entry DOI: 10.7270/Q2TB18KT |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(BOVINE) | BDBM50030087
(CHEMBL274397 | [Mca1,D-Trp2,Sar7]AVT)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C42H63N15O11S2/c1-3-21(2)35-41(68)54-26(10-11-30(43)58)38(65)55-28(16-31(44)59)39(66)56-29(37(64)51-19-34(62)52-25(9-6-13-48-42(46)47)36(63)50-18-32(45)60)20-70-69-14-12-33(61)53-27(40(67)57-35)15-22-17-49-24-8-5-4-7-23(22)24/h4-5,7-8,17,21,25-29,35,49H,3,6,9-16,18-20H2,1-2H3,(H2,43,58)(H2,44,59)(H2,45,60)(H,50,63)(H,51,64)(H,52,62)(H,53,61)(H,54,68)(H,55,65)(H,56,66)(H,57,67)(H4,46,47,48)/t21-,25-,26-,27+,28-,29+,35-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institut f£r Biophysik
Curated by ChEMBL
| Assay Description
Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane |
J Med Chem 37: 255-9 (1994)
BindingDB Entry DOI: 10.7270/Q2H995TM |
More data for this
Ligand-Target Pair | |
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