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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for UniProtKB: P32307   
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


(Sus scrofa)
BDBM35667
PNG
(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
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Article
n/an/a 3.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition to V2 subtype receptor using [3H]- (VS2) as radioligand at 3 nM and arginine-vasopressin at 2 microM in LLCPKI cells


Bioorg Med Chem Lett 7: 719-724 (1997)


Article DOI: 10.1016/S0960-894X(97)00050-4
BindingDB Entry DOI: 10.7270/Q2QC03HW
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50291329
PNG
(8-arginine vasopressin trisulphide | CHEMBL267405)
Show SMILES N[C@@H]1CSSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S3/c47-27-22-74-76-75-23-33(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-/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition to V2 subtype receptor using [3H]- (VS2) as radioligand at 3 nM and arginine-vasopressin at 2 microM in LLCPKI cells


Bioorg Med Chem Lett 7: 719-724 (1997)


Article DOI: 10.1016/S0960-894X(97)00050-4
BindingDB Entry DOI: 10.7270/Q2QC03HW
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50122716
PNG
(5-(Piperidin-4-ylmethoxy)-9-propyl-1,2,3,4-tetrahy...)
Show SMILES CCCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
Show InChI InChI=1S/C21H29N3O/c1-2-12-24-13-9-16(10-14-24)15-25-21-18-7-5-11-22-20(18)17-6-3-4-8-19(17)23-21/h3-4,6,8,16,22H,2,5,7,9-15H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Ability to displace [3H]AVP from Vasopressin V2 receptor


J Med Chem 46: 138-47 (2002)


Article DOI: 10.1021/jm020954v
BindingDB Entry DOI: 10.7270/Q2J67G8P
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50281512
PNG
(Acetic acid (S)-1-(4,11-dimethoxy-9-methyl-5-oxo-5...)
Show SMILES COc1cc(C)cc2COC(=O)c3c(Oc12)ccc([C@H](CC(C)C)OC(C)=O)c3OC
Show InChI InChI=1S/C24H28O7/c1-13(2)9-19(30-15(4)25)17-7-8-18-21(23(17)28-6)24(26)29-12-16-10-14(3)11-20(27-5)22(16)31-18/h7-8,10-11,13,19H,9,12H2,1-6H3/t19-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit binding of arginine vasopressin to Vasopressin receptor (V1 subtype)


Bioorg Med Chem Lett 3: 337-340 (1993)


Article DOI: 10.1016/S0960-894X(01)80905-7
BindingDB Entry DOI: 10.7270/Q28052J0
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50281511
PNG
(Acetic acid (S)-1-(11-hydroxy-4-methoxy-9-methyl-5...)
Show SMILES COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)[C@H](CC(C)C)OC(C)=O
Show InChI InChI=1S/C23H26O7/c1-12(2)8-19(29-14(4)24)16-6-7-18-20(22(16)27-5)23(26)28-11-15-9-13(3)10-17(25)21(15)30-18/h6-7,9-10,12,19,25H,8,11H2,1-5H3/t19-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit binding of arginine vasopressin to Vasopressin receptor (V1 subtype)


Bioorg Med Chem Lett 3: 337-340 (1993)


Article DOI: 10.1016/S0960-894X(01)80905-7
BindingDB Entry DOI: 10.7270/Q28052J0
More data for this
Ligand-Target Pair