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10 similar compounds to monomer 50370115

Compile data set for download or QSAR
Wt: 1471.5
BDBM50075728
Wt: 1296.4
BDBM50370107
Wt: 1484.6
BDBM50370108
Wt: 1309.4
BDBM50370110
Wt: 1282.3
BDBM50370111
Wt: 1312.4
BDBM50370112
Wt: 1298.3
BDBM50370113
Wt: 1323.4
BDBM50370114
Wt: 1322.4
BDBM50370116
Wt: 1325.4
BDBM50370117

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50075728,50370107,50370108,50370110,50370111,50370112,50370113,50370114,50370116,50370117   
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
Oxytocin receptor


(HEK293)
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)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
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)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50075728
PNG
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(6C-...)
Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-49-52(37-44)75(107-73(49)105)50-27-24-47(92)38-60(50)106-61-39-48(93)25-28-51(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells


J Med Chem 42: 1312-9 (1999)


Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
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)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
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)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
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)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
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)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
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)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50370108
PNG
(CHEMBL1790713)
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](CCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@H](C(N)=O)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C73H85N11O19S2/c1-5-37(2)58-66(97)80-59(38(3)85)67(98)78-51(34-56(74)90)64(95)79-52(36-104-105-72(27-7-6-8-28-72)35-57(91)83-71(4,70(101)82-58)41-16-20-43(87)21-17-41)68(99)84-30-10-12-53(84)65(96)77-50(63(94)81-60(61(75)92)39-13-18-42(86)19-14-39)11-9-29-76-62(93)40-15-24-46-49(31-40)73(103-69(46)100)47-25-22-44(88)32-54(47)102-55-33-45(89)23-26-48(55)73/h13-26,31-33,37-38,50-53,58-60,85-89H,5-12,27-30,34-36H2,1-4H3,(H2,74,90)(H2,75,92)(H,76,93)(H,77,96)(H,78,98)(H,79,95)(H,80,97)(H,81,94)(H,82,101)(H,83,91)/t37-,38-,50+,51-,52-,53-,58-,59-,60+,71-/m1/s1
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6.24n/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)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1a 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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11.8n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human Vasopressin V1a receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1a 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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12.2n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human Vasopressin V1a receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1a 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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17.3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human Vasopressin V1a receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1a 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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25.5n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human Vasopressin V1a receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1a 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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30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human Vasopressin V1a receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1b 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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53n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V1b receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1a 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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57n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human Vasopressin V1a receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1b 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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87n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V1b receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1a 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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107n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human Vasopressin V1a receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1b 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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124n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V1b receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1b 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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126n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V1b receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50370116
PNG
(CHEMBL1790722)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)CC2(CCCCC2)SSC[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)=O)c1ccc(O)cc1
Show InChI InChI=1S/C64H75N9O18S2/c1-4-32(2)51-57(83)72-52(33(3)74)58(84)68-44(29-49(65)78)55(81)69-45(31-92-93-63(22-6-5-7-23-63)30-50(79)70-53(59(85)71-51)34-12-15-36(75)16-13-34)60(86)73-25-9-11-46(73)56(82)67-43(61(87)88)10-8-24-66-54(80)35-14-19-39-42(26-35)64(91-62(39)89)40-20-17-37(76)27-47(40)90-48-28-38(77)18-21-41(48)64/h12-21,26-28,32-33,43-46,51-53,74-77H,4-11,22-25,29-31H2,1-3H3,(H2,65,78)(H,66,80)(H,67,82)(H,68,84)(H,69,81)(H,70,79)(H,71,85)(H,72,83)(H,87,88)/t32-,33?,43+,44-,45-,46-,51-,52-,53+/m1/s1
Reactome pathway
KEGG

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126n/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)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1b 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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150n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V1b receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50370108
PNG
(CHEMBL1790713)
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](CCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@H](C(N)=O)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C73H85N11O19S2/c1-5-37(2)58-66(97)80-59(38(3)85)67(98)78-51(34-56(74)90)64(95)79-52(36-104-105-72(27-7-6-8-28-72)35-57(91)83-71(4,70(101)82-58)41-16-20-43(87)21-17-41)68(99)84-30-10-12-53(84)65(96)77-50(63(94)81-60(61(75)92)39-13-18-42(86)19-14-39)11-9-29-76-62(93)40-15-24-46-49(31-40)73(103-69(46)100)47-25-22-44(88)32-54(47)102-55-33-45(89)23-26-48(55)73/h13-26,31-33,37-38,50-53,58-60,85-89H,5-12,27-30,34-36H2,1-4H3,(H2,74,90)(H2,75,92)(H,76,93)(H,77,96)(H,78,98)(H,79,95)(H,80,97)(H,81,94)(H,82,101)(H,83,91)/t37-,38-,50+,51-,52-,53-,58-,59-,60+,71-/m1/s1
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217n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human Vasopressin V1a receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1b 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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282n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V1b receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1b 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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393n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V1b receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50370116
PNG
(CHEMBL1790722)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)CC2(CCCCC2)SSC[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)=O)c1ccc(O)cc1
Show InChI InChI=1S/C64H75N9O18S2/c1-4-32(2)51-57(83)72-52(33(3)74)58(84)68-44(29-49(65)78)55(81)69-45(31-92-93-63(22-6-5-7-23-63)30-50(79)70-53(59(85)71-51)34-12-15-36(75)16-13-34)60(86)73-25-9-11-46(73)56(82)67-43(61(87)88)10-8-24-66-54(80)35-14-19-39-42(26-35)64(91-62(39)89)40-20-17-37(76)27-47(40)90-48-28-38(77)18-21-41(48)64/h12-21,26-28,32-33,43-46,51-53,74-77H,4-11,22-25,29-31H2,1-3H3,(H2,65,78)(H,66,80)(H,67,82)(H,68,84)(H,69,81)(H,70,79)(H,71,85)(H,72,83)(H,87,88)/t32-,33?,43+,44-,45-,46-,51-,52-,53+/m1/s1
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656n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity for human Vasopressin V1a receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50370116
PNG
(CHEMBL1790722)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)CC2(CCCCC2)SSC[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)=O)c1ccc(O)cc1
Show InChI InChI=1S/C64H75N9O18S2/c1-4-32(2)51-57(83)72-52(33(3)74)58(84)68-44(29-49(65)78)55(81)69-45(31-92-93-63(22-6-5-7-23-63)30-50(79)70-53(59(85)71-51)34-12-15-36(75)16-13-34)60(86)73-25-9-11-46(73)56(82)67-43(61(87)88)10-8-24-66-54(80)35-14-19-39-42(26-35)64(91-62(39)89)40-20-17-37(76)27-47(40)90-48-28-38(77)18-21-41(48)64/h12-21,26-28,32-33,43-46,51-53,74-77H,4-11,22-25,29-31H2,1-3H3,(H2,65,78)(H,66,80)(H,67,82)(H,68,84)(H,69,81)(H,70,79)(H,71,85)(H,72,83)(H,87,88)/t32-,33?,43+,44-,45-,46-,51-,52-,53+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V1b receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(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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>1.00E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V2 receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50370108
PNG
(CHEMBL1790713)
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](CCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@H](C(N)=O)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C73H85N11O19S2/c1-5-37(2)58-66(97)80-59(38(3)85)67(98)78-51(34-56(74)90)64(95)79-52(36-104-105-72(27-7-6-8-28-72)35-57(91)83-71(4,70(101)82-58)41-16-20-43(87)21-17-41)68(99)84-30-10-12-53(84)65(96)77-50(63(94)81-60(61(75)92)39-13-18-42(86)19-14-39)11-9-29-76-62(93)40-15-24-46-49(31-40)73(103-69(46)100)47-25-22-44(88)32-54(47)102-55-33-45(89)23-26-48(55)73/h13-26,31-33,37-38,50-53,58-60,85-89H,5-12,27-30,34-36H2,1-4H3,(H2,74,90)(H2,75,92)(H,76,93)(H,77,96)(H,78,98)(H,79,95)(H,80,97)(H,81,94)(H,82,101)(H,83,91)/t37-,38-,50+,51-,52-,53-,58-,59-,60+,71-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V1b receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50370116
PNG
(CHEMBL1790722)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)CC2(CCCCC2)SSC[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)=O)c1ccc(O)cc1
Show InChI InChI=1S/C64H75N9O18S2/c1-4-32(2)51-57(83)72-52(33(3)74)58(84)68-44(29-49(65)78)55(81)69-45(31-92-93-63(22-6-5-7-23-63)30-50(79)70-53(59(85)71-51)34-12-15-36(75)16-13-34)60(86)73-25-9-11-46(73)56(82)67-43(61(87)88)10-8-24-66-54(80)35-14-19-39-42(26-35)64(91-62(39)89)40-20-17-37(76)27-47(40)90-48-28-38(77)18-21-41(48)64/h12-21,26-28,32-33,43-46,51-53,74-77H,4-11,22-25,29-31H2,1-3H3,(H2,65,78)(H,66,80)(H,67,82)(H,68,84)(H,69,81)(H,70,79)(H,71,85)(H,72,83)(H,87,88)/t32-,33?,43+,44-,45-,46-,51-,52-,53+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V2 receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50370108
PNG
(CHEMBL1790713)
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](CCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@H](C(N)=O)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C73H85N11O19S2/c1-5-37(2)58-66(97)80-59(38(3)85)67(98)78-51(34-56(74)90)64(95)79-52(36-104-105-72(27-7-6-8-28-72)35-57(91)83-71(4,70(101)82-58)41-16-20-43(87)21-17-41)68(99)84-30-10-12-53(84)65(96)77-50(63(94)81-60(61(75)92)39-13-18-42(86)19-14-39)11-9-29-76-62(93)40-15-24-46-49(31-40)73(103-69(46)100)47-25-22-44(88)32-54(47)102-55-33-45(89)23-26-48(55)73/h13-26,31-33,37-38,50-53,58-60,85-89H,5-12,27-30,34-36H2,1-4H3,(H2,74,90)(H2,75,92)(H,76,93)(H,77,96)(H,78,98)(H,79,95)(H,80,97)(H,81,94)(H,82,101)(H,83,91)/t37-,38-,50+,51-,52-,53-,58-,59-,60+,71-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V2 receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(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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>1.00E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V2 receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(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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>1.00E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V2 receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(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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>1.00E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V2 receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(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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>1.00E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V2 receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(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
UniProtKB/SwissProt

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V2 receptor


J Med Chem 45: 2579-88 (2002)


Article DOI: 10.1021/jm010526+
BindingDB Entry DOI: 10.7270/Q2W37X10
More data for this
Ligand-Target Pair