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Found 297 hits with Last Name = 'cheng' and Initial = 'll'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Vasopressin V1b receptor


(RAT)
BDBM50205313
PNG
(CHEMBL265859 | d[Leu4]AVP)
Show SMILES [#6]-[#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]-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/C47H67N13O11S2/c1-26(2)20-31-41(66)58-34(23-37(48)62)44(69)59-35(46(71)60-18-7-11-36(60)45(70)55-30(10-6-17-52-47(50)51)40(65)53-24-38(49)63)25-73-72-19-16-39(64)54-32(22-28-12-14-29(61)15-13-28)42(67)57-33(43(68)56-31)21-27-8-4-3-5-9-27/h3-5,8-9,12-15,26,30-36,61H,6-7,10-11,16-25H2,1-2H3,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,70)(H,56,68)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50370109
PNG
(CHEMBL1790723)
Show SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6](-[#8])-[#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]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(-[#6]-2=[#6]-3-[#6]=[#6]-[#6](=[#6]-[#6]-3-[#8]-[#6]-3=[#6]\[#6](-[#6]=[#6]-[#6]-2-3)=[#7+](\[#6])-[#6])-[#7](-[#6])-[#6])c(c1)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#7])-c1ccc(-[#8])cc1 |c:62,64,66,74,t:71|
Show InChI InChI=1S/C65H84N14O16S2/c1-7-33(2)54-62(90)72-44(22-23-51(67)82)58(86)73-45(29-52(68)83)59(87)74-46(30-96-97-31-48(81)61(89)76-55(63(91)75-54)34-12-17-38(80)18-13-34)64(92)79-25-9-11-47(79)60(88)71-43(57(85)70-32-66)10-8-24-69-56(84)35-14-19-39(42(26-35)65(93)94)53-40-20-15-36(77(3)4)27-49(40)95-50-28-37(78(5)6)16-21-41(50)53/h12-21,26-28,33,40,43-48,50,54-55,81H,7-11,22-25,29-32,66H2,1-6H3,(H13-,67,68,69,70,71,72,73,74,75,76,80,82,83,84,85,86,87,88,89,90,91,93,94)/p+1/t33-,40?,43+,44-,45-,46-,47-,48?,50?,54-,55+/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor


J Med Chem 45: 2579-88 (2002)


BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50205305
PNG
(CHEMBL375324 | d[Arg4]AVP)
Show SMILES [#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#16]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1
Show InChI InChI=1S/C47H68N16O11S2/c48-36(65)23-33-43(72)62-34(45(74)63-19-6-11-35(63)44(73)59-29(9-4-17-54-46(50)51)39(68)56-24-37(49)66)25-76-75-20-16-38(67)57-31(22-27-12-14-28(64)15-13-27)41(70)60-32(21-26-7-2-1-3-8-26)42(71)58-30(40(69)61-33)10-5-18-55-47(52)53/h1-3,7-8,12-15,29-35,64H,4-6,9-11,16-25H2,(H2,48,65)(H2,49,66)(H,56,68)(H,57,67)(H,58,71)(H,59,73)(H,60,70)(H,61,69)(H,62,72)(H4,50,51,54)(H4,52,53,55)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50205309
PNG
(CHEMBL412972 | d[Leu4,Lys8]VP)
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(N)=O
Show InChI InChI=1S/C47H67N11O11S2/c1-27(2)21-32-42(64)56-35(24-38(49)60)45(67)57-36(47(69)58-19-8-12-37(58)46(68)53-31(11-6-7-18-48)41(63)51-25-39(50)61)26-71-70-20-17-40(62)52-33(23-29-13-15-30(59)16-14-29)43(65)55-34(44(66)54-32)22-28-9-4-3-5-10-28/h3-5,9-10,13-16,27,31-37,59H,6-8,11-12,17-26,48H2,1-2H3,(H2,49,60)(H2,50,61)(H,51,63)(H,52,62)(H,53,68)(H,54,66)(H,55,65)(H,56,64)(H,57,67)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50370113
PNG
(CHEMBL1790719)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)C(O)CSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC1=O)C(C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)NCN)c1ccc(O)cc1
Show InChI InChI=1S/C60H71N11O18S2/c1-4-28(2)47-55(83)69-48(29(3)72)56(84)66-40(24-46(62)77)52(80)67-41(25-90-91-26-43(76)54(82)70-49(57(85)68-47)30-9-12-32(73)13-10-30)58(86)71-20-6-8-42(71)53(81)65-39(51(79)64-27-61)7-5-19-63-50(78)31-11-16-35-38(21-31)60(89-59(35)87)36-17-14-33(74)22-44(36)88-45-23-34(75)15-18-37(45)60/h9-18,21-23,28-29,39-43,47-49,72-76H,4-8,19-20,24-27,61H2,1-3H3,(H2,62,77)(H,63,78)(H,64,79)(H,65,81)(H,66,84)(H,67,80)(H,68,85)(H,69,83)(H,70,82)/t28-,29?,39+,40-,41-,42-,43?,47-,48-,49+/m1/s1
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0.170n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor


J Med Chem 45: 2579-88 (2002)


BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50370117
PNG
(CHEMBL1790720)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)C(O)CSSC[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@@H](CCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)NCN)c1ccc(O)cc1
Show InChI InChI=1S/C61H72N12O18S2/c1-3-29(2)49-57(86)68-40(18-19-47(63)78)53(82)69-41(25-48(64)79)54(83)70-42(26-92-93-27-44(77)56(85)72-50(58(87)71-49)30-8-11-32(74)12-9-30)59(88)73-21-5-7-43(73)55(84)67-39(52(81)66-28-62)6-4-20-65-51(80)31-10-15-35-38(22-31)61(91-60(35)89)36-16-13-33(75)23-45(36)90-46-24-34(76)14-17-37(46)61/h8-17,22-24,29,39-44,49-50,74-77H,3-7,18-21,25-28,62H2,1-2H3,(H2,63,78)(H2,64,79)(H,65,80)(H,66,81)(H,67,84)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,72,85)/t29-,39+,40-,41-,42-,43-,44?,49-,50+/m1/s1
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0.180n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor


J Med Chem 45: 2579-88 (2002)


BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50205296
PNG
(CHEMBL385739 | d[Arg4,Dab8]VP)
Show SMILES NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H64N14O11S2/c46-16-14-29(38(64)52-23-36(48)62)55-43(69)34-9-5-18-59(34)44(70)33-24-72-71-19-15-37(63)53-30(21-26-10-12-27(60)13-11-26)40(66)56-31(20-25-6-2-1-3-7-25)41(67)54-28(8-4-17-51-45(49)50)39(65)57-32(22-35(47)61)42(68)58-33/h1-3,6-7,10-13,28-34,60H,4-5,8-9,14-24,46H2,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,67)(H,55,69)(H,56,66)(H,57,65)(H,58,68)(H4,49,50,51)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.190n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50205291
PNG
((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Show SMILES [#7]-[#6](=O)-[#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]-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/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50205305
PNG
(CHEMBL375324 | d[Arg4]AVP)
Show SMILES [#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#16]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1
Show InChI InChI=1S/C47H68N16O11S2/c48-36(65)23-33-43(72)62-34(45(74)63-19-6-11-35(63)44(73)59-29(9-4-17-54-46(50)51)39(68)56-24-37(49)66)25-76-75-20-16-38(67)57-31(22-27-12-14-28(64)15-13-27)41(70)60-32(21-26-7-2-1-3-8-26)42(71)58-30(40(69)61-33)10-5-18-55-47(52)53/h1-3,7-8,12-15,29-35,64H,4-6,9-11,16-25H2,(H2,48,65)(H2,49,66)(H,56,68)(H,57,67)(H,58,71)(H,59,73)(H,60,70)(H,61,69)(H,62,72)(H4,50,51,54)(H4,52,53,55)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from vasopressin V2 receptor in rat kidney membranes


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50370106
PNG
(CHEMBL1790712)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@](C)(NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(N)=O)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C52H75N11O13S2/c1-5-28(2)40-47(73)59-41(29(3)64)48(74)57-35(25-38(54)67)45(71)58-36(27-77-78-52(21-7-6-8-22-52)26-39(68)62-51(4,50(76)61-40)31-15-19-33(66)20-16-31)49(75)63-24-10-12-37(63)46(72)56-34(11-9-23-53)44(70)60-42(43(55)69)30-13-17-32(65)18-14-30/h13-20,28-29,34-37,40-42,64-66H,5-12,21-27,53H2,1-4H3,(H2,54,67)(H2,55,69)(H,56,72)(H,57,74)(H,58,71)(H,59,73)(H,60,70)(H,61,76)(H,62,68)/t28-,29-,34+,35-,36-,37-,40-,41-,42+,51-/m1/s1
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0.210n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor


J Med Chem 45: 2579-88 (2002)


BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145126
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,10S,13R,16S)-13-benzyl-7-...)
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](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H67N13O11S2/c1-26(2)20-31-41(66)58-34(23-37(48)62)44(69)59-35(46(71)60-18-7-11-36(60)45(70)55-30(10-6-17-52-47(50)51)40(65)53-24-38(49)63)25-73-72-19-16-39(64)54-32(22-28-12-14-29(61)15-13-28)42(67)57-33(43(68)56-31)21-27-8-4-3-5-9-27/h3-5,8-9,12-15,26,30-36,61H,6-7,10-11,16-25H2,1-2H3,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,70)(H,56,68)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t30-,31-,32-,33+,34+,35+,36+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)


Article DOI: 10.1021/jm030611c
BindingDB Entry DOI: 10.7270/Q2GF0V8C
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50370110
PNG
(CHEMBL1790721)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](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@@H](CCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)NCN)c1ccc(O)cc1
Show InChI InChI=1S/C61H72N12O17S2/c1-3-30(2)50-57(85)68-41(18-19-47(63)77)54(82)69-42(27-48(64)78)55(83)70-43(28-92-91-23-20-49(79)71-51(58(86)72-50)31-8-11-33(74)12-9-31)59(87)73-22-5-7-44(73)56(84)67-40(53(81)66-29-62)6-4-21-65-52(80)32-10-15-36-39(24-32)61(90-60(36)88)37-16-13-34(75)25-45(37)89-46-26-35(76)14-17-38(46)61/h8-17,24-26,30,40-44,50-51,74-76H,3-7,18-23,27-29,62H2,1-2H3,(H2,63,77)(H2,64,78)(H,65,80)(H,66,81)(H,67,84)(H,68,85)(H,69,82)(H,70,83)(H,71,79)(H,72,86)/t30-,40+,41-,42-,43-,44-,50-,51+/m1/s1
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0.25n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor


J Med Chem 45: 2579-88 (2002)


BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50205297
PNG
(CHEMBL412973 | d[Leu4,Dab8]VP)
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](CCN)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H63N11O11S2/c1-25(2)19-30-40(62)54-33(22-36(47)58)43(65)55-34(45(67)56-17-6-9-35(56)44(66)51-29(14-16-46)39(61)49-23-37(48)59)24-69-68-18-15-38(60)50-31(21-27-10-12-28(57)13-11-27)41(63)53-32(42(64)52-30)20-26-7-4-3-5-8-26/h3-5,7-8,10-13,25,29-35,57H,6,9,14-24,46H2,1-2H3,(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,64)(H,53,63)(H,54,62)(H,55,65)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50205300
PNG
(CHEMBL221436 | d[Val4]AVP)
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]-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/C46H65N13O11S2/c1-25(2)38-44(69)56-32(22-35(47)61)41(66)57-33(45(70)59-18-7-11-34(59)43(68)54-29(10-6-17-51-46(49)50)39(64)52-23-36(48)62)24-72-71-19-16-37(63)53-30(21-27-12-14-28(60)15-13-27)40(65)55-31(42(67)58-38)20-26-8-4-3-5-9-26/h3-5,8-9,12-15,25,29-34,38,60H,6-7,10-11,16-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,67)(H4,49,50,51)/t29-,30-,31-,32-,33-,34-,38-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50205304
PNG
(CHEMBL435323 | dVDAVP)
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]-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/C46H65N13O11S2/c1-25(2)38-44(69)56-32(22-35(47)61)41(66)57-33(45(70)59-18-7-11-34(59)43(68)54-29(10-6-17-51-46(49)50)39(64)52-23-36(48)62)24-72-71-19-16-37(63)53-30(21-27-12-14-28(60)15-13-27)40(65)55-31(42(67)58-38)20-26-8-4-3-5-9-26/h3-5,8-9,12-15,25,29-34,38,60H,6-7,10-11,16-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,67)(H4,49,50,51)/t29-,30+,31+,32+,33+,34+,38+/m1/s1
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0.260n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from vasopressin V2 receptor in rat kidney membranes


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50205301
PNG
(CHEMBL375188 | d[Leu4,Orn8]VP)
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](CCCN)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N11O11S2/c1-26(2)20-31-41(63)55-34(23-37(48)59)44(66)56-35(46(68)57-18-7-11-36(57)45(67)52-30(10-6-17-47)40(62)50-24-38(49)60)25-70-69-19-16-39(61)51-32(22-28-12-14-29(58)15-13-28)42(64)54-33(43(65)53-31)21-27-8-4-3-5-9-27/h3-5,8-9,12-15,26,30-36,58H,6-7,10-11,16-25,47H2,1-2H3,(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,67)(H,53,65)(H,54,64)(H,55,63)(H,56,66)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50370114
PNG
(CHEMBL1790718)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](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@@H](CCCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)NCN)c1ccc(O)cc1
Show InChI InChI=1S/C62H74N12O17S2/c1-3-31(2)51-58(86)69-42(19-20-48(64)78)55(83)70-43(28-49(65)79)56(84)71-44(29-93-92-24-21-50(80)72-52(59(87)73-51)32-9-12-34(75)13-10-32)60(88)74-23-6-8-45(74)57(85)68-41(54(82)67-30-63)7-4-5-22-66-53(81)33-11-16-37-40(25-33)62(91-61(37)89)38-17-14-35(76)26-46(38)90-47-27-36(77)15-18-39(47)62/h9-18,25-27,31,41-45,51-52,75-77H,3-8,19-24,28-30,63H2,1-2H3,(H2,64,78)(H2,65,79)(H,66,81)(H,67,82)(H,68,85)(H,69,86)(H,70,83)(H,71,84)(H,72,80)(H,73,87)/t31-,41+,42-,43-,44-,45-,51-,52+/m1/s1
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0.290n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor


J Med Chem 45: 2579-88 (2002)


BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145118
PNG
(CHEMBL412353 | d[Val4]AVP)
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)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N13O11S2/c1-25(2)38-44(69)56-32(22-35(47)61)41(66)57-33(45(70)59-18-7-11-34(59)43(68)54-29(10-6-17-51-46(49)50)39(64)52-23-36(48)62)24-72-71-19-16-37(63)53-30(21-27-12-14-28(60)15-13-27)40(65)55-31(42(67)58-38)20-26-8-4-3-5-9-26/h3-5,8-9,12-15,25,29-34,38,60H,6-7,10-11,16-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,67)(H4,49,50,51)/t29-,30-,31+,32+,33+,34+,38-/m0/s1
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0.290n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)


Article DOI: 10.1021/jm030611c
BindingDB Entry DOI: 10.7270/Q2GF0V8C
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50205308
PNG
((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Show SMILES [#7]-[#6](=O)-[#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]-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/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from vasopressin V2 receptor in rat kidney membranes


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50205300
PNG
(CHEMBL221436 | d[Val4]AVP)
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]-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/C46H65N13O11S2/c1-25(2)38-44(69)56-32(22-35(47)61)41(66)57-33(45(70)59-18-7-11-34(59)43(68)54-29(10-6-17-51-46(49)50)39(64)52-23-36(48)62)24-72-71-19-16-37(63)53-30(21-27-12-14-28(60)15-13-27)40(65)55-31(42(67)58-38)20-26-8-4-3-5-9-26/h3-5,8-9,12-15,25,29-34,38,60H,6-7,10-11,16-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,67)(H4,49,50,51)/t29-,30-,31-,32-,33-,34-,38-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from vasopressin V2 receptor in rat kidney membranes


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50370112
PNG
(CHEMBL1790729)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)C(O)CSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC1=O)C(C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)NCN)c1ccc(O)cc1
Show InChI InChI=1S/C61H73N11O18S2/c1-4-29(2)48-56(84)70-49(30(3)73)57(85)67-41(25-47(63)78)53(81)68-42(26-91-92-27-44(77)55(83)71-50(58(86)69-48)31-10-13-33(74)14-11-31)59(87)72-21-7-9-43(72)54(82)66-40(52(80)65-28-62)8-5-6-20-64-51(79)32-12-17-36-39(22-32)61(90-60(36)88)37-18-15-34(75)23-45(37)89-46-24-35(76)16-19-38(46)61/h10-19,22-24,29-30,40-44,48-50,73-77H,4-9,20-21,25-28,62H2,1-3H3,(H2,63,78)(H,64,79)(H,65,80)(H,66,82)(H,67,85)(H,68,81)(H,69,86)(H,70,84)(H,71,83)/t29-,30?,40+,41-,42-,43-,44?,48-,49-,50+/m1/s1
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0.320n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor


J Med Chem 45: 2579-88 (2002)


BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50370115
PNG
(CHEMBL1790717)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)C(O)CSSC[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@@H](CCCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)NCN)c1ccc(O)cc1
Show InChI InChI=1S/C62H74N12O18S2/c1-3-30(2)50-58(87)69-41(19-20-48(64)79)54(83)70-42(26-49(65)80)55(84)71-43(27-93-94-28-45(78)57(86)73-51(59(88)72-50)31-9-12-33(75)13-10-31)60(89)74-22-6-8-44(74)56(85)68-40(53(82)67-29-63)7-4-5-21-66-52(81)32-11-16-36-39(23-32)62(92-61(36)90)37-17-14-34(76)24-46(37)91-47-25-35(77)15-18-38(47)62/h9-18,23-25,30,40-45,50-51,75-78H,3-8,19-22,26-29,63H2,1-2H3,(H2,64,79)(H2,65,80)(H,66,81)(H,67,82)(H,68,85)(H,69,87)(H,70,83)(H,71,84)(H,72,88)(H,73,86)/t30-,40+,41-,42-,43-,44-,45?,50-,51+/m1/s1
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0.340n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor


J Med Chem 45: 2579-88 (2002)


BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145112
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...)
Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CCCNC(N)=N)C(=O)N[C@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H68N16O11S2/c48-36(65)23-33-43(72)62-34(45(74)63-19-6-11-35(63)44(73)59-29(9-4-17-54-46(50)51)39(68)56-24-37(49)66)25-76-75-20-16-38(67)57-31(22-27-12-14-28(64)15-13-27)41(70)60-32(21-26-7-2-1-3-8-26)42(71)58-30(40(69)61-33)10-5-18-55-47(52)53/h1-3,7-8,12-15,29-35,64H,4-6,9-11,16-25H2,(H2,48,65)(H2,49,66)(H,56,68)(H,57,67)(H,58,71)(H,59,73)(H,60,70)(H,61,69)(H,62,72)(H4,50,51,54)(H4,52,53,55)/t29-,30?,31-,32+,33+,34+,35+/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)


Article DOI: 10.1021/jm030611c
BindingDB Entry DOI: 10.7270/Q2GF0V8C
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50205303
PNG
(CHEMBL373968 | d[Leu4,Dap8]VP)
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](CN)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H61N11O11S2/c1-24(2)17-28-39(61)52-31(20-35(46)57)42(64)54-33(44(66)55-15-6-9-34(55)43(65)53-32(21-45)38(60)48-22-36(47)58)23-68-67-16-14-37(59)49-29(19-26-10-12-27(56)13-11-26)40(62)51-30(41(63)50-28)18-25-7-4-3-5-8-25/h3-5,7-8,10-13,24,28-34,56H,6,9,14-23,45H2,1-2H3,(H2,46,57)(H2,47,58)(H,48,60)(H,49,59)(H,50,63)(H,51,62)(H,52,61)(H,53,65)(H,54,64)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50370111
PNG
(CHEMBL1790711)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC1=O)[C@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)NCN)c1ccc(O)cc1
Show InChI InChI=1S/C60H71N11O17S2/c1-4-29(2)48-55(82)70-49(30(3)72)56(83)66-41(26-46(62)76)53(80)67-42(27-90-89-22-19-47(77)68-50(57(84)69-48)31-9-12-33(73)13-10-31)58(85)71-21-6-8-43(71)54(81)65-40(52(79)64-28-61)7-5-20-63-51(78)32-11-16-36-39(23-32)60(88-59(36)86)37-17-14-34(74)24-44(37)87-45-25-35(75)15-18-38(45)60/h9-18,23-25,29-30,40-43,48-50,72-75H,4-8,19-22,26-28,61H2,1-3H3,(H2,62,76)(H,63,78)(H,64,79)(H,65,81)(H,66,83)(H,67,80)(H,68,77)(H,69,84)(H,70,82)/t29-,30+,40+,41-,42-,43-,48-,49-,50+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor


J Med Chem 45: 2579-88 (2002)


BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50370387
PNG
(CHEMBL1790575)
Show SMILES [#6]-[#6]-[#6@H](-[#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]-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/C47H67N13O11S2/c1-3-26(2)39-45(70)57-33(23-36(48)62)42(67)58-34(46(71)60-19-8-12-35(60)44(69)55-30(11-7-18-52-47(50)51)40(65)53-24-37(49)63)25-73-72-20-17-38(64)54-31(22-28-13-15-29(61)16-14-28)41(66)56-32(43(68)59-39)21-27-9-5-4-6-10-27/h4-6,9-10,13-16,26,30-35,39,61H,3,7-8,11-12,17-25H2,1-2H3,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,68)(H4,50,51,52)/t26-,30-,31-,32+,33+,34+,35+,39-/m0/s1
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0.420n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)


Article DOI: 10.1021/jm030611c
BindingDB Entry DOI: 10.7270/Q2GF0V8C
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145124
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-10-but...)
Show SMILES CCCCC1NC(=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](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H67N13O11S2/c1-2-3-11-31-41(66)58-34(24-37(48)62)44(69)59-35(46(71)60-20-8-13-36(60)45(70)56-30(12-7-19-52-47(50)51)40(65)53-25-38(49)63)26-73-72-21-18-39(64)54-32(23-28-14-16-29(61)17-15-28)42(67)57-33(43(68)55-31)22-27-9-5-4-6-10-27/h4-6,9-10,14-17,30-36,61H,2-3,7-8,11-13,18-26H2,1H3,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,68)(H,56,70)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t30-,31?,32-,33+,34+,35+,36+/m0/s1
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0.430n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)


Article DOI: 10.1021/jm030611c
BindingDB Entry DOI: 10.7270/Q2GF0V8C
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50205306
PNG
(CHEMBL375323 | d[Orn4,Lys8]VP)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H66N12O11S2/c47-18-5-4-10-30(40(63)51-25-38(50)61)54-45(68)36-12-7-20-58(36)46(69)35-26-71-70-21-17-39(62)52-32(23-28-13-15-29(59)16-14-28)42(65)55-33(22-27-8-2-1-3-9-27)43(66)53-31(11-6-19-48)41(64)56-34(24-37(49)60)44(67)57-35/h1-3,8-9,13-16,30-36,59H,4-7,10-12,17-26,47-48H2,(H2,49,60)(H2,50,61)(H,51,63)(H,52,62)(H,53,66)(H,54,68)(H,55,65)(H,56,64)(H,57,67)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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0.450n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50205311
PNG
(CHEMBL375096 | d[Orn4]AVP)
Show SMILES [#7]-[#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]-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/C46H66N14O11S2/c47-17-4-9-30-40(66)58-33(23-36(48)62)43(69)59-34(45(71)60-19-6-11-35(60)44(70)56-29(10-5-18-52-46(50)51)39(65)53-24-37(49)63)25-73-72-20-16-38(64)54-31(22-27-12-14-28(61)15-13-27)41(67)57-32(42(68)55-30)21-26-7-2-1-3-8-26/h1-3,7-8,12-15,29-35,61H,4-6,9-11,16-25,47H2,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,68)(H,56,70)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
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0.450n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145107
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-10-(3-aminopropy...)
Show SMILES NCCCC1NC(=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](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H66N14O11S2/c47-17-4-9-30-40(66)58-33(23-36(48)62)43(69)59-34(45(71)60-19-6-11-35(60)44(70)56-29(10-5-18-52-46(50)51)39(65)53-24-37(49)63)25-73-72-20-16-38(64)54-31(22-27-12-14-28(61)15-13-27)41(67)57-32(42(68)55-30)21-26-7-2-1-3-8-26/h1-3,7-8,12-15,29-35,61H,4-6,9-11,16-25,47H2,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,68)(H,56,70)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t29-,30?,31-,32+,33+,34+,35+/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)


Article DOI: 10.1021/jm030611c
BindingDB Entry DOI: 10.7270/Q2GF0V8C
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145117
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...)
Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CCCCNC(N)=N)C(=O)N[C@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C48H70N16O11S2/c49-37(66)24-34-44(73)63-35(46(75)64-20-7-12-36(64)45(74)60-30(11-6-19-56-48(53)54)40(69)57-25-38(50)67)26-77-76-21-17-39(68)58-32(23-28-13-15-29(65)16-14-28)42(71)61-33(22-27-8-2-1-3-9-27)43(72)59-31(41(70)62-34)10-4-5-18-55-47(51)52/h1-3,8-9,13-16,30-36,65H,4-7,10-12,17-26H2,(H2,49,66)(H2,50,67)(H,57,69)(H,58,68)(H,59,72)(H,60,74)(H,61,71)(H,62,70)(H,63,73)(H4,51,52,55)(H4,53,54,56)/t30-,31?,32-,33+,34+,35+,36+/m0/s1
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0.520n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)


Article DOI: 10.1021/jm030611c
BindingDB Entry DOI: 10.7270/Q2GF0V8C
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50205298
PNG
(CHEMBL375325 | d[Arg4,Lys8]VP)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H68N14O11S2/c48-18-5-4-10-30(40(66)54-25-38(50)64)57-45(71)36-12-7-20-61(36)46(72)35-26-74-73-21-17-39(65)55-32(23-28-13-15-29(62)16-14-28)42(68)58-33(22-27-8-2-1-3-9-27)43(69)56-31(11-6-19-53-47(51)52)41(67)59-34(24-37(49)63)44(70)60-35/h1-3,8-9,13-16,30-36,62H,4-7,10-12,17-26,48H2,(H2,49,63)(H2,50,64)(H,54,66)(H,55,65)(H,56,69)(H,57,71)(H,58,68)(H,59,67)(H,60,70)(H4,51,52,53)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50205292
PNG
(CHEMBL385068 | d[Arg4,Orn8]VP)
Show SMILES NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H66N14O11S2/c47-17-4-9-29(39(65)53-24-37(49)63)56-44(70)35-11-6-19-60(35)45(71)34-25-73-72-20-16-38(64)54-31(22-27-12-14-28(61)15-13-27)41(67)57-32(21-26-7-2-1-3-8-26)42(68)55-30(10-5-18-52-46(50)51)40(66)58-33(23-36(48)62)43(69)59-34/h1-3,7-8,12-15,29-35,61H,4-6,9-11,16-25,47H2,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,68)(H,56,70)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145108
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...)
Show SMILES CCCC1NC(=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](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N13O11S2/c1-2-8-29-40(65)57-33(23-36(47)61)43(68)58-34(45(70)59-19-7-12-35(59)44(69)55-30(11-6-18-51-46(49)50)39(64)52-24-37(48)62)25-72-71-20-17-38(63)53-31(22-27-13-15-28(60)16-14-27)41(66)56-32(42(67)54-29)21-26-9-4-3-5-10-26/h3-5,9-10,13-16,29-35,60H,2,6-8,11-12,17-25H2,1H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,67)(H,55,69)(H,56,66)(H,57,65)(H,58,68)(H4,49,50,51)/t29?,30-,31-,32+,33+,34+,35+/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)


Article DOI: 10.1021/jm030611c
BindingDB Entry DOI: 10.7270/Q2GF0V8C
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50205990
PNG
(CHEMBL395429 | OXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[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@@H](CC(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor


J Med Chem 45: 2579-88 (2002)


BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50205291
PNG
((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Show SMILES [#7]-[#6](=O)-[#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]-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/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from vasopressin V2 receptor in rat kidney membranes


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50205307
PNG
(CHEMBL412742 | d[Cha4,Dab8]VP)
Show SMILES NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
Show InChI InChI=1S/C48H67N11O11S2/c49-19-17-32(42(64)52-26-40(51)62)54-47(69)38-12-7-20-59(38)48(70)37-27-72-71-21-18-41(63)53-33(24-30-13-15-31(60)16-14-30)43(65)55-34(22-28-8-3-1-4-9-28)44(66)56-35(23-29-10-5-2-6-11-29)45(67)57-36(25-39(50)61)46(68)58-37/h1,3-4,8-9,13-16,29,32-38,60H,2,5-7,10-12,17-27,49H2,(H2,50,61)(H2,51,62)(H,52,64)(H,53,63)(H,54,69)(H,55,65)(H,56,66)(H,57,67)(H,58,68)/t32-,33-,34-,35-,36-,37-,38-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50205310
PNG
(CHEMBL219272 | d[Orn4,Orn8]VP)
Show SMILES NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H64N12O11S2/c46-17-4-9-29(39(62)50-24-37(49)60)53-44(67)35-11-6-19-57(35)45(68)34-25-70-69-20-16-38(61)51-31(22-27-12-14-28(58)15-13-27)41(64)54-32(21-26-7-2-1-3-8-26)42(65)52-30(10-5-18-47)40(63)55-33(23-36(48)59)43(66)56-34/h1-3,7-8,12-15,29-35,58H,4-6,9-11,16-25,46-47H2,(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,65)(H,53,67)(H,54,64)(H,55,63)(H,56,66)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
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0.910n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50205291
PNG
((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Show SMILES [#7]-[#6](=O)-[#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]-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/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.970n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat OT receptor expressed in CHO cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145111
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...)
Show SMILES CC(O)C1NC(=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](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H63N13O12S2/c1-24(59)37-43(69)55-31(21-34(46)61)40(66)56-32(44(70)58-17-6-10-33(58)42(68)53-28(9-5-16-50-45(48)49)38(64)51-22-35(47)62)23-72-71-18-15-36(63)52-29(20-26-11-13-27(60)14-12-26)39(65)54-30(41(67)57-37)19-25-7-3-2-4-8-25/h2-4,7-8,11-14,24,28-33,37,59-60H,5-6,9-10,15-23H2,1H3,(H2,46,61)(H2,47,62)(H,51,64)(H,52,63)(H,53,68)(H,54,65)(H,55,69)(H,56,66)(H,57,67)(H4,48,49,50)/t24?,28-,29-,30+,31+,32+,33+,37?/m0/s1
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1n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)


Article DOI: 10.1021/jm030611c
BindingDB Entry DOI: 10.7270/Q2GF0V8C
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
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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1.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat OT receptor expressed in CHO cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145109
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...)
Show SMILES CCC1NC(=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](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H63N13O11S2/c1-2-28-39(64)56-32(22-35(46)60)42(67)57-33(44(69)58-18-7-11-34(58)43(68)54-29(10-6-17-50-45(48)49)38(63)51-23-36(47)61)24-71-70-19-16-37(62)52-30(21-26-12-14-27(59)15-13-26)40(65)55-31(41(66)53-28)20-25-8-4-3-5-9-25/h3-5,8-9,12-15,28-34,59H,2,6-7,10-11,16-24H2,1H3,(H2,46,60)(H2,47,61)(H,51,63)(H,52,62)(H,53,66)(H,54,68)(H,55,65)(H,56,64)(H,57,67)(H4,48,49,50)/t28?,29-,30-,31+,32+,33+,34+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)


Article DOI: 10.1021/jm030611c
BindingDB Entry DOI: 10.7270/Q2GF0V8C
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145123
PNG
(CHEMBL410573 | d[Cha4]AVP)
Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CC2CCCCC2)C(=O)N[C@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C50H71N13O11S2/c51-40(65)26-37-47(72)62-38(49(74)63-21-8-14-39(63)48(73)58-33(13-7-20-55-50(53)54)43(68)56-27-41(52)66)28-76-75-22-19-42(67)57-34(25-31-15-17-32(64)18-16-31)44(69)59-35(23-29-9-3-1-4-10-29)45(70)60-36(46(71)61-37)24-30-11-5-2-6-12-30/h1,3-4,9-10,15-18,30,33-39,64H,2,5-8,11-14,19-28H2,(H2,51,65)(H2,52,66)(H,56,68)(H,57,67)(H,58,73)(H,59,69)(H,60,70)(H,61,71)(H,62,72)(H4,53,54,55)/t33-,34-,35+,36?,37+,38+,39+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)


Article DOI: 10.1021/jm030611c
BindingDB Entry DOI: 10.7270/Q2GF0V8C
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50145118
PNG
(CHEMBL412353 | d[Val4]AVP)
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)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N13O11S2/c1-25(2)38-44(69)56-32(22-35(47)61)41(66)57-33(45(70)59-18-7-11-34(59)43(68)54-29(10-6-17-51-46(49)50)39(64)52-23-36(48)62)24-72-71-19-16-37(63)53-30(21-27-12-14-28(60)15-13-27)40(65)55-31(42(67)58-38)20-26-8-4-3-5-9-26/h3-5,8-9,12-15,25,29-34,38,60H,6-7,10-11,16-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,67)(H4,49,50,51)/t29-,30-,31+,32+,33+,34+,38-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V2 receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptor...


J Med Chem 47: 2375-88 (2004)


Article DOI: 10.1021/jm030611c
BindingDB Entry DOI: 10.7270/Q2GF0V8C
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50205312
PNG
(CHEMBL265858 | d[Cha4]AVP)
Show SMILES [#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#16]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1
Show InChI InChI=1S/C50H71N13O11S2/c51-40(65)26-37-47(72)62-38(49(74)63-21-8-14-39(63)48(73)58-33(13-7-20-55-50(53)54)43(68)56-27-41(52)66)28-76-75-22-19-42(67)57-34(25-31-15-17-32(64)18-16-31)44(69)59-35(23-29-9-3-1-4-10-29)45(70)60-36(46(71)61-37)24-30-11-5-2-6-12-30/h1,3-4,9-10,15-18,30,33-39,64H,2,5-8,11-14,19-28H2,(H2,51,65)(H2,52,66)(H,56,68)(H,57,67)(H,58,73)(H,59,69)(H,60,70)(H,61,71)(H,62,72)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145129
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7,10-b...)
Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H62N14O12S2/c46-34(61)20-30-41(68)57-31(21-35(47)62)42(69)58-32(44(71)59-16-5-9-33(59)43(70)54-27(8-4-15-51-45(49)50)38(65)52-22-36(48)63)23-73-72-17-14-37(64)53-28(19-25-10-12-26(60)13-11-25)39(66)55-29(40(67)56-30)18-24-6-2-1-3-7-24/h1-3,6-7,10-13,27-33,60H,4-5,8-9,14-23H2,(H2,46,61)(H2,47,62)(H2,48,63)(H,52,65)(H,53,64)(H,54,70)(H,55,66)(H,56,67)(H,57,68)(H,58,69)(H4,49,50,51)/t27-,28-,29+,30?,31+,32+,33+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)


Article DOI: 10.1021/jm030611c
BindingDB Entry DOI: 10.7270/Q2GF0V8C
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50145111
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...)
Show SMILES CC(O)C1NC(=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](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H63N13O12S2/c1-24(59)37-43(69)55-31(21-34(46)61)40(66)56-32(44(70)58-17-6-10-33(58)42(68)53-28(9-5-16-50-45(48)49)38(64)51-22-35(47)62)23-72-71-18-15-36(63)52-29(20-26-11-13-27(60)14-12-26)39(65)54-30(41(67)57-37)19-25-7-3-2-4-8-25/h2-4,7-8,11-14,24,28-33,37,59-60H,5-6,9-10,15-23H2,1H3,(H2,46,61)(H2,47,62)(H,51,64)(H,52,63)(H,53,68)(H,54,65)(H,55,69)(H,56,66)(H,57,67)(H4,48,49,50)/t24?,28-,29-,30+,31+,32+,33+,37?/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V2 receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptor...


J Med Chem 47: 2375-88 (2004)


Article DOI: 10.1021/jm030611c
BindingDB Entry DOI: 10.7270/Q2GF0V8C
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50145129
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7,10-b...)
Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H62N14O12S2/c46-34(61)20-30-41(68)57-31(21-35(47)62)42(69)58-32(44(71)59-16-5-9-33(59)43(70)54-27(8-4-15-51-45(49)50)38(65)52-22-36(48)63)23-73-72-17-14-37(64)53-28(19-25-10-12-26(60)13-11-25)39(66)55-29(40(67)56-30)18-24-6-2-1-3-7-24/h1-3,6-7,10-13,27-33,60H,4-5,8-9,14-23H2,(H2,46,61)(H2,47,62)(H2,48,63)(H,52,65)(H,53,64)(H,54,70)(H,55,66)(H,56,67)(H,57,68)(H,58,69)(H4,49,50,51)/t27-,28-,29+,30?,31+,32+,33+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1a receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)


Article DOI: 10.1021/jm030611c
BindingDB Entry DOI: 10.7270/Q2GF0V8C
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50370107
PNG
(CHEMBL1790728)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC1=O)C(C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)NCN)c1ccc(O)cc1
Show InChI InChI=1S/C61H73N11O17S2/c1-4-30(2)49-56(83)71-50(31(3)73)57(84)67-42(27-47(63)77)54(81)68-43(28-91-90-23-20-48(78)69-51(58(85)70-49)32-10-13-34(74)14-11-32)59(86)72-22-7-9-44(72)55(82)66-41(53(80)65-29-62)8-5-6-21-64-52(79)33-12-17-37-40(24-33)61(89-60(37)87)38-18-15-35(75)25-45(38)88-46-26-36(76)16-19-39(46)61/h10-19,24-26,30-31,41-44,49-51,73-76H,4-9,20-23,27-29,62H2,1-3H3,(H2,63,77)(H,64,79)(H,65,80)(H,66,82)(H,67,84)(H,68,81)(H,69,78)(H,70,85)(H,71,83)/t30-,31?,41+,42-,43-,44-,49-,50-,51+/m1/s1
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1.80n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor


J Med Chem 45: 2579-88 (2002)


BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50205296
PNG
(CHEMBL385739 | d[Arg4,Dab8]VP)
Show SMILES NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H64N14O11S2/c46-16-14-29(38(64)52-23-36(48)62)55-43(69)34-9-5-18-59(34)44(70)33-24-72-71-19-15-37(63)53-30(21-26-10-12-27(60)13-11-26)40(66)56-31(20-25-6-2-1-3-7-25)41(67)54-28(8-4-17-51-45(49)50)39(65)57-32(22-35(47)61)42(68)58-33/h1-3,6-7,10-13,28-34,60H,4-5,8-9,14-24,46H2,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,67)(H,55,69)(H,56,66)(H,57,65)(H,58,68)(H4,49,50,51)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from vasopressin V2 receptor in rat kidney membranes


J Med Chem 50: 835-47 (2007)


Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH
More data for this
Ligand-Target Pair
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