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83 similar compounds to monomer 50044763

Compile data set for download or QSAR
Wt: 1007.1
BDBM86210
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Wt: 1028.2
BDBM50016317
Wt: 1007.1
BDBM50013775
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Wt: 1014.1
BDBM50016310
Wt: 1029.1
BDBM50016313
Wt: 1028.2
BDBM50016315
Wt: 964.1
BDBM50030077
Wt: 1037.2
BDBM50030080
Wt: 1024.2
BDBM50056795
Wt: 992.1
BDBM50056796
Wt: 1024.2
BDBM50056797
Wt: 1048.2
BDBM50087278
Wt: 1063.2
BDBM50087281
Wt: 2362.8
BDBM50099201
Wt: 1033.2
BDBM50133272
Displayed 1 to 15 (of 83 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 86210,50016317,50013775,50016310,50016313,50016315,50030077,50030080,50056795,50056796,50056797,50087278,50087281,50099201,50133272   
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)
BDBM86210
PNG
(CAS_50-56-6 | NSC_439302 | Oxytocin)
Show SMILES CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NCC(N)=O
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)
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0.5n/an/an/an/an/an/an/an/a



LCG Bioscience

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 253-61 (2003)


Article DOI: 10.1124/jpet.103.049395
BindingDB Entry DOI: 10.7270/Q2MC8XKT
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM86210
PNG
(CAS_50-56-6 | NSC_439302 | Oxytocin)
Show SMILES CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NCC(N)=O
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)
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0.710n/an/an/an/an/an/an/an/a



LCG Bioscience

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 253-61 (2003)


Article DOI: 10.1124/jpet.103.049395
BindingDB Entry DOI: 10.7270/Q2MC8XKT
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50013775
PNG
((oxytocin-OT) cyclo[Cys-Tyr-Ile-Gln-Asn-Cys]-Pro-L...)
Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
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+/m1/s1
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0.890n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 301-8 (1997)


BindingDB Entry DOI: 10.7270/Q25T3J1N
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50056796
PNG
(CHEMBL435716 | DEAMINOOXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30+,31-,36-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Oxytocin receptor was determined in rat uterine membrane using radioligand [3H]-oxytocin


J Med Chem 40: 864-76 (1997)


Article DOI: 10.1021/jm9607156
BindingDB Entry DOI: 10.7270/Q28P5ZK3
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM86210
PNG
(CAS_50-56-6 | NSC_439302 | Oxytocin)
Show SMILES CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NCC(N)=O
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)
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1.90n/an/an/an/an/an/an/an/a



LCG Bioscience

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 253-61 (2003)


Article DOI: 10.1124/jpet.103.049395
BindingDB Entry DOI: 10.7270/Q2MC8XKT
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50099201
PNG
(CHEMBL413455 | Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-(CH...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C108H172N34O22S2/c1-9-59(7)87(111)101(161)137-79(51-85(109)147)103(163)141-43-15-21-83(141)99(159)139-81(97(157)135-77(49-63-27-35-69(145)36-28-63)95(155)131-71(19-13-41-125-107(119)120)91(151)133-75(45-57(3)4)93(153)129-65(17-11-39-123-105(115)116)53-127-73(89(113)149)47-61-23-31-67(143)32-24-61)55-165-166-56-82(140-100(160)84-22-16-44-142(84)104(164)80(52-86(110)148)138-102(162)88(112)60(8)10-2)98(158)136-78(50-64-29-37-70(146)38-30-64)96(156)132-72(20-14-42-126-108(121)122)92(152)134-76(46-58(5)6)94(154)130-66(18-12-40-124-106(117)118)54-128-74(90(114)150)48-62-25-33-68(144)34-26-62/h23-38,57-60,65-66,71-84,87-88,127-128,143-146H,9-22,39-56,111-112H2,1-8H3,(H2,109,147)(H2,110,148)(H2,113,149)(H2,114,150)(H,129,153)(H,130,154)(H,131,155)(H,132,156)(H,133,151)(H,134,152)(H,135,157)(H,136,158)(H,137,161)(H,138,162)(H,139,159)(H,140,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



University of Cincinnati and VA Medical Centers

Curated by ChEMBL


Assay Description
Affinity for cloned Y1 receptor using [125I]-PYY as radioligand


J Med Chem 44: 1479-82 (2001)


Article DOI: 10.1021/jm010031k
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50056795
PNG
(CHEMBL353396 | Deaminooxytocin Trisulfide)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSSC[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
Show InChI InChI=1S/C43H65N11O12S3/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-69-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30+,31-,36-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Oxytocin receptor was determined in rat uterine membrane using radioligand [3H]-oxytocin


J Med Chem 40: 864-76 (1997)


Article DOI: 10.1021/jm9607156
BindingDB Entry DOI: 10.7270/Q28P5ZK3
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50056796
PNG
(CHEMBL435716 | DEAMINOOXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30+,31-,36-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Binding affinity of the compound against oxytocin receptor


J Med Chem 43: 1448-55 (2000)


Article DOI: 10.1021/jm990090m
BindingDB Entry DOI: 10.7270/Q22V2FCX
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50056797
PNG
(CHEMBL352836 | Oxytocin Trisulfide)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSSC[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
Show InChI InChI=1S/C43H65N11O12S3/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-69-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1
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6n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Oxytocin receptor was determined in rat uterine membrane using radioligand [3H]-oxytocin


J Med Chem 40: 864-76 (1997)


Article DOI: 10.1021/jm9607156
BindingDB Entry DOI: 10.7270/Q28P5ZK3
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50013775
PNG
((oxytocin-OT) cyclo[Cys-Tyr-Ile-Gln-Asn-Cys]-Pro-L...)
Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
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+/m1/s1
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39.4n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 301-8 (1997)


BindingDB Entry DOI: 10.7270/Q25T3J1N
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50013775
PNG
((oxytocin-OT) cyclo[Cys-Tyr-Ile-Gln-Asn-Cys]-Pro-L...)
Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
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+/m1/s1
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46.2n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 301-8 (1997)


BindingDB Entry DOI: 10.7270/Q25T3J1N
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50013775
PNG
((oxytocin-OT) cyclo[Cys-Tyr-Ile-Gln-Asn-Cys]-Pro-L...)
Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
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+/m1/s1
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58.4n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 301-8 (1997)


BindingDB Entry DOI: 10.7270/Q25T3J1N
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50099201
PNG
(CHEMBL413455 | Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-(CH...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C108H172N34O22S2/c1-9-59(7)87(111)101(161)137-79(51-85(109)147)103(163)141-43-15-21-83(141)99(159)139-81(97(157)135-77(49-63-27-35-69(145)36-28-63)95(155)131-71(19-13-41-125-107(119)120)91(151)133-75(45-57(3)4)93(153)129-65(17-11-39-123-105(115)116)53-127-73(89(113)149)47-61-23-31-67(143)32-24-61)55-165-166-56-82(140-100(160)84-22-16-44-142(84)104(164)80(52-86(110)148)138-102(162)88(112)60(8)10-2)98(158)136-78(50-64-29-37-70(146)38-30-64)96(156)132-72(20-14-42-126-108(121)122)92(152)134-76(46-58(5)6)94(154)130-66(18-12-40-124-106(117)118)54-128-74(90(114)150)48-62-25-33-68(144)34-26-62/h23-38,57-60,65-66,71-84,87-88,127-128,143-146H,9-22,39-56,111-112H2,1-8H3,(H2,109,147)(H2,110,148)(H2,113,149)(H2,114,150)(H,129,153)(H,130,154)(H,131,155)(H,132,156)(H,133,151)(H,134,152)(H,135,157)(H,136,158)(H,137,161)(H,138,162)(H,139,159)(H,140,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1
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65n/an/an/an/an/an/an/an/a



University of Cincinnati and VA Medical Centers

Curated by ChEMBL


Assay Description
Affinity for cloned Y4 receptor using [125I]-PP as radioligand


J Med Chem 44: 1479-82 (2001)


Article DOI: 10.1021/jm010031k
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM86210
PNG
(CAS_50-56-6 | NSC_439302 | Oxytocin)
Show SMILES CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NCC(N)=O
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)
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123n/an/an/an/an/an/an/an/a



LCG Bioscience

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 253-61 (2003)


Article DOI: 10.1124/jpet.103.049395
BindingDB Entry DOI: 10.7270/Q2MC8XKT
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50087278
PNG
(2N-(1-carbamoylmethylcarbamoyl-3-methylbutyl)-5-(t...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C(CCC1C(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H73N11O12S2/c1-8-25(4)39-45(69)53-28(13-16-35(48)60)41(65)54-31(21-36(49)61)42(66)56-32(23-72-71-18-17-38(63)52-30(43(67)57-39)20-26-9-11-27(59)12-10-26)46(70)58-33(14-15-34(58)47(5,6)7)44(68)55-29(19-24(2)3)40(64)51-22-37(50)62/h9-12,24-25,28-34,39,59H,8,13-23H2,1-7H3,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,63)(H,53,69)(H,54,65)(H,55,68)(H,56,66)(H,57,67)/t25-,28-,29-,30-,31-,32-,33?,34?,39-/m0/s1
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240n/an/an/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Binding affinity of the compound against oxytocin receptor


J Med Chem 43: 1448-55 (2000)


Article DOI: 10.1021/jm990090m
BindingDB Entry DOI: 10.7270/Q22V2FCX
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50013775
PNG
((oxytocin-OT) cyclo[Cys-Tyr-Ile-Gln-Asn-Cys]-Pro-L...)
Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
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+/m1/s1
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677n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 301-8 (1997)


BindingDB Entry DOI: 10.7270/Q25T3J1N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50099201
PNG
(CHEMBL413455 | Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-(CH...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C108H172N34O22S2/c1-9-59(7)87(111)101(161)137-79(51-85(109)147)103(163)141-43-15-21-83(141)99(159)139-81(97(157)135-77(49-63-27-35-69(145)36-28-63)95(155)131-71(19-13-41-125-107(119)120)91(151)133-75(45-57(3)4)93(153)129-65(17-11-39-123-105(115)116)53-127-73(89(113)149)47-61-23-31-67(143)32-24-61)55-165-166-56-82(140-100(160)84-22-16-44-142(84)104(164)80(52-86(110)148)138-102(162)88(112)60(8)10-2)98(158)136-78(50-64-29-37-70(146)38-30-64)96(156)132-72(20-14-42-126-108(121)122)92(152)134-76(46-58(5)6)94(154)130-66(18-12-40-124-106(117)118)54-128-74(90(114)150)48-62-25-33-68(144)34-26-62/h23-38,57-60,65-66,71-84,87-88,127-128,143-146H,9-22,39-56,111-112H2,1-8H3,(H2,109,147)(H2,110,148)(H2,113,149)(H2,114,150)(H,129,153)(H,130,154)(H,131,155)(H,132,156)(H,133,151)(H,134,152)(H,135,157)(H,136,158)(H,137,161)(H,138,162)(H,139,159)(H,140,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1
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822n/an/an/an/an/an/an/an/a



University of Cincinnati and VA Medical Centers

Curated by ChEMBL


Assay Description
Affinity for cloned Y2 receptor using [125I]-PYY as radioligand


J Med Chem 44: 1479-82 (2001)


Article DOI: 10.1021/jm010031k
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50013775
PNG
((oxytocin-OT) cyclo[Cys-Tyr-Ile-Gln-Asn-Cys]-Pro-L...)
Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
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+/m1/s1
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1.01E+3n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 301-8 (1997)


BindingDB Entry DOI: 10.7270/Q25T3J1N
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50087281
PNG
(2N-(1-carbamoylmethylcarbamoyl-3-methylbutyl)-1-[6...)
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)N1[C@@H](CC[C@@H]1C(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H74N12O12S2/c1-8-24(4)38-45(70)53-28(13-16-35(49)61)41(66)55-31(19-36(50)62)42(67)57-32(22-73-72-21-27(48)39(64)54-30(43(68)58-38)18-25-9-11-26(60)12-10-25)46(71)59-33(14-15-34(59)47(5,6)7)44(69)56-29(17-23(2)3)40(65)52-20-37(51)63/h9-12,23-24,27-34,38,60H,8,13-22,48H2,1-7H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,70)(H,54,64)(H,55,66)(H,56,69)(H,57,67)(H,58,68)/t24-,27+,28-,29-,30-,31-,32-,33-,34+,38-/m0/s1
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1.43E+3n/an/an/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Binding affinity of the compound against oxytocin receptor


J Med Chem 43: 1448-55 (2000)


Article DOI: 10.1021/jm990090m
BindingDB Entry DOI: 10.7270/Q22V2FCX
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM86210
PNG
(CAS_50-56-6 | NSC_439302 | Oxytocin)
Show SMILES CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NCC(N)=O
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)
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1.54E+3n/an/an/an/an/an/an/an/a



LCG Bioscience

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 253-61 (2003)


Article DOI: 10.1124/jpet.103.049395
BindingDB Entry DOI: 10.7270/Q2MC8XKT
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM86210
PNG
(CAS_50-56-6 | NSC_439302 | Oxytocin)
Show SMILES CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NCC(N)=O
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)
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1.78E+3n/an/an/an/an/an/an/an/a



LCG Bioscience

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 253-61 (2003)


Article DOI: 10.1124/jpet.103.049395
BindingDB Entry DOI: 10.7270/Q2MC8XKT
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50099201
PNG
(CHEMBL413455 | Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-(CH...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C108H172N34O22S2/c1-9-59(7)87(111)101(161)137-79(51-85(109)147)103(163)141-43-15-21-83(141)99(159)139-81(97(157)135-77(49-63-27-35-69(145)36-28-63)95(155)131-71(19-13-41-125-107(119)120)91(151)133-75(45-57(3)4)93(153)129-65(17-11-39-123-105(115)116)53-127-73(89(113)149)47-61-23-31-67(143)32-24-61)55-165-166-56-82(140-100(160)84-22-16-44-142(84)104(164)80(52-86(110)148)138-102(162)88(112)60(8)10-2)98(158)136-78(50-64-29-37-70(146)38-30-64)96(156)132-72(20-14-42-126-108(121)122)92(152)134-76(46-58(5)6)94(154)130-66(18-12-40-124-106(117)118)54-128-74(90(114)150)48-62-25-33-68(144)34-26-62/h23-38,57-60,65-66,71-84,87-88,127-128,143-146H,9-22,39-56,111-112H2,1-8H3,(H2,109,147)(H2,110,148)(H2,113,149)(H2,114,150)(H,129,153)(H,130,154)(H,131,155)(H,132,156)(H,133,151)(H,134,152)(H,135,157)(H,136,158)(H,137,161)(H,138,162)(H,139,159)(H,140,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1
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2.34E+3n/an/an/an/an/an/an/an/a



University of Cincinnati and VA Medical Centers

Curated by ChEMBL


Assay Description
Affinity for cloned Y5 receptor using [125I]-PYY as radioligand


J Med Chem 44: 1479-82 (2001)


Article DOI: 10.1021/jm010031k
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ
More data for this
Ligand-Target Pair
AVPR2


(BOVINE)
BDBM50016317
PNG
(CHEMBL2371674 | [Mpa1Val4MeAla7]AVP (Arginine-vaso...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H65N13O11S2/c1-24(2)37-43(68)55-32(21-34(46)60)41(66)56-33(44(69)58(4)25(3)38(63)53-29(11-8-17-50-45(48)49)39(64)51-22-35(47)61)23-71-70-18-16-36(62)52-30(20-27-12-14-28(59)15-13-27)40(65)54-31(42(67)57-37)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,24-25,29-33,37,59H,8,11,16-23H2,1-4H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t25-,29-,30+,31-,32-,33-,37+/m0/s1
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n/an/an/a 8.50E+9n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]-AVP as a radioligand


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
AVPR2


(BOVINE)
BDBM50016315
PNG
(CHEMBL437631 | [Val4MeAla7]AVP (Arginine-vasopress...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H65N13O11S2/c1-24(2)37-43(68)55-32(21-34(46)60)41(66)56-33(44(69)58(4)25(3)38(63)53-29(11-8-17-50-45(48)49)39(64)51-22-35(47)61)23-71-70-18-16-36(62)52-30(20-27-12-14-28(59)15-13-27)40(65)54-31(42(67)57-37)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,24-25,29-33,37,59H,8,11,16-23H2,1-4H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t25-,29+,30-,31+,32+,33+,37-/m1/s1
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n/an/an/a 33n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
AVPR2


(BOVINE)
BDBM50016310
PNG
(CHEMBL406303 | [Mpa1Val4Sar7]AVP (Arginine-vasopre...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H63N13O11S2/c1-24(2)37-42(67)54-31(20-33(45)59)40(65)55-32(43(68)57(3)22-36(62)51-28(10-7-16-49-44(47)48)38(63)50-21-34(46)60)23-70-69-17-15-35(61)52-29(19-26-11-13-27(58)14-12-26)39(64)53-30(41(66)56-37)18-25-8-5-4-6-9-25/h4-6,8-9,11-14,24,28-32,37,58H,7,10,15-23H2,1-3H3,(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,61)(H,53,64)(H,54,67)(H,55,65)(H,56,66)(H4,47,48,49)/t28-,29+,30-,31-,32-,37+/m0/s1
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n/an/an/a 1.30E+9n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]-AVP as a radioligand


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
AVPR2


(BOVINE)
BDBM50030080
PNG
(CHEMBL411420 | [Mca1,D-Tyr(OEt)2,Sar7]AVT)
Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1
Show InChI InChI=1S/C43H68N14O12S2/c1-5-23(3)36-41(67)53-27(13-14-31(44)58)38(64)54-29(19-32(45)59)39(65)55-30(42(68)57(4)21-35(62)51-26(8-7-16-49-43(47)48)37(63)50-20-33(46)60)22-71-70-17-15-34(61)52-28(40(66)56-36)18-24-9-11-25(12-10-24)69-6-2/h9-12,23,26-30,36H,5-8,13-22H2,1-4H3,(H2,44,58)(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,61)(H,53,67)(H,54,64)(H,55,65)(H,56,66)(H4,47,48,49)/t23-,26-,27-,28-,29-,30+,36-/m0/s1
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n/an/an/a 130n/an/an/an/an/a



Max-Planck-Institut f£r Biophysik

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane


J Med Chem 37: 255-9 (1994)


Article DOI: 10.1021/jm00028a008
BindingDB Entry DOI: 10.7270/Q2H995TM
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50030077
PNG
(CHEMBL330022 | [Mca1,D-Tyr(OMe)2,Sar7]AVT)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N(C)CC(=O)NCC(N)=O
Show InChI InChI=1S/C41H61N11O12S2/c1-5-22(2)35-39(61)47-25(12-13-30(42)53)36(58)48-27(18-31(43)54)37(59)49-28(40(62)52-15-6-7-29(52)41(63)51(3)20-34(57)45-19-32(44)55)21-66-65-16-14-33(56)46-26(38(60)50-35)17-23-8-10-24(64-4)11-9-23/h8-11,22,25-29,35H,5-7,12-21H2,1-4H3,(H2,42,53)(H2,43,54)(H2,44,55)(H,45,57)(H,46,56)(H,47,61)(H,48,58)(H,49,59)(H,50,60)/t22-,25-,26-,27-,28+,29-,35-/m0/s1
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n/an/an/a 18n/an/an/an/an/a



Max-Planck-Institut f£r Biophysik

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]OT binding to oxytocin receptor (OT) in guinea pig myometrium membrane


J Med Chem 37: 255-9 (1994)


Article DOI: 10.1021/jm00028a008
BindingDB Entry DOI: 10.7270/Q2H995TM
More data for this
Ligand-Target Pair
AVPR2


(BOVINE)
BDBM50030077
PNG
(CHEMBL330022 | [Mca1,D-Tyr(OMe)2,Sar7]AVT)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N(C)CC(=O)NCC(N)=O
Show InChI InChI=1S/C41H61N11O12S2/c1-5-22(2)35-39(61)47-25(12-13-30(42)53)36(58)48-27(18-31(43)54)37(59)49-28(40(62)52-15-6-7-29(52)41(63)51(3)20-34(57)45-19-32(44)55)21-66-65-16-14-33(56)46-26(38(60)50-35)17-23-8-10-24(64-4)11-9-23/h8-11,22,25-29,35H,5-7,12-21H2,1-4H3,(H2,42,53)(H2,43,54)(H2,44,55)(H,45,57)(H,46,56)(H,47,61)(H,48,58)(H,49,59)(H,50,60)/t22-,25-,26-,27-,28+,29-,35-/m0/s1
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n/an/an/a 811n/an/an/an/an/a



Max-Planck-Institut f£r Biophysik

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane


J Med Chem 37: 255-9 (1994)


Article DOI: 10.1021/jm00028a008
BindingDB Entry DOI: 10.7270/Q2H995TM
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50030080
PNG
(CHEMBL411420 | [Mca1,D-Tyr(OEt)2,Sar7]AVT)
Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1
Show InChI InChI=1S/C43H68N14O12S2/c1-5-23(3)36-41(67)53-27(13-14-31(44)58)38(64)54-29(19-32(45)59)39(65)55-30(42(68)57(4)21-35(62)51-26(8-7-16-49-43(47)48)37(63)50-20-33(46)60)22-71-70-17-15-34(61)52-28(40(66)56-36)18-24-9-11-25(12-10-24)69-6-2/h9-12,23,26-30,36H,5-8,13-22H2,1-4H3,(H2,44,58)(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,61)(H,53,67)(H,54,64)(H,55,65)(H,56,66)(H4,47,48,49)/t23-,26-,27-,28-,29-,30+,36-/m0/s1
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n/an/an/a 15n/an/an/an/an/a



Max-Planck-Institut f£r Biophysik

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]OT binding to oxytocin receptor (OT) in guinea pig myometrium membrane


J Med Chem 37: 255-9 (1994)


Article DOI: 10.1021/jm00028a008
BindingDB Entry DOI: 10.7270/Q2H995TM
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50133272
PNG
(CHEMBL406351 | [D-Pen1,Glu4,Lys8]OT)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)C(C)(C)SSC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(=O)NCCCC[C@@H](NC(=O)[C@H]3CCCN3C2=O)C(=O)NCC(N)=O)NC1=O
Show InChI InChI=1S/C45H68N12O12S2/c1-5-23(2)35-42(67)52-27-15-16-34(61)49-17-7-6-9-26(37(62)50-21-33(47)60)51-41(66)31-10-8-18-57(31)44(69)30(55-39(64)29(20-32(46)59)53-38(27)63)22-70-71-45(3,4)36(48)43(68)54-28(40(65)56-35)19-24-11-13-25(58)14-12-24/h11-14,23,26-31,35-36,58H,5-10,15-22,48H2,1-4H3,(H2,46,59)(H2,47,60)(H,49,61)(H,50,62)(H,51,66)(H,52,67)(H,53,63)(H,54,68)(H,55,64)(H,56,65)/t23-,26+,27+,28+,29+,30-,31+,35-,36-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards oxytocin receptor


J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(BOVINE)
BDBM50016315
PNG
(CHEMBL437631 | [Val4MeAla7]AVP (Arginine-vasopress...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H65N13O11S2/c1-24(2)37-43(68)55-32(21-34(46)60)41(66)56-33(44(69)58(4)25(3)38(63)53-29(11-8-17-50-45(48)49)39(64)51-22-35(47)61)23-71-70-18-16-36(62)52-30(20-27-12-14-28(59)15-13-27)40(65)54-31(42(67)57-37)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,24-25,29-33,37,59H,8,11,16-23H2,1-4H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t25-,29+,30-,31+,32+,33+,37-/m1/s1
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n/an/an/a 3.00E+10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]-AVP as a radioligand


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50016315
PNG
(CHEMBL437631 | [Val4MeAla7]AVP (Arginine-vasopress...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H65N13O11S2/c1-24(2)37-43(68)55-32(21-34(46)60)41(66)56-33(44(69)58(4)25(3)38(63)53-29(11-8-17-50-45(48)49)39(64)51-22-35(47)61)23-71-70-18-16-36(62)52-30(20-27-12-14-28(59)15-13-27)40(65)54-31(42(67)57-37)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,24-25,29-33,37,59H,8,11,16-23H2,1-4H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t25-,29+,30-,31+,32+,33+,37-/m1/s1
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n/an/an/a 310n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]-AVP as a radioligand


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50016315
PNG
(CHEMBL437631 | [Val4MeAla7]AVP (Arginine-vasopress...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H65N13O11S2/c1-24(2)37-43(68)55-32(21-34(46)60)41(66)56-33(44(69)58(4)25(3)38(63)53-29(11-8-17-50-45(48)49)39(64)51-22-35(47)61)23-71-70-18-16-36(62)52-30(20-27-12-14-28(59)15-13-27)40(65)54-31(42(67)57-37)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,24-25,29-33,37,59H,8,11,16-23H2,1-4H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t25-,29+,30-,31+,32+,33+,37-/m1/s1
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n/an/an/a 4.80E+11n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from rat liver using [3H]-AVP as a radioligand


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50016317
PNG
(CHEMBL2371674 | [Mpa1Val4MeAla7]AVP (Arginine-vaso...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H65N13O11S2/c1-24(2)37-43(68)55-32(21-34(46)60)41(66)56-33(44(69)58(4)25(3)38(63)53-29(11-8-17-50-45(48)49)39(64)51-22-35(47)61)23-71-70-18-16-36(62)52-30(20-27-12-14-28(59)15-13-27)40(65)54-31(42(67)57-37)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,24-25,29-33,37,59H,8,11,16-23H2,1-4H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t25-,29-,30+,31-,32-,33-,37+/m0/s1
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n/an/an/a 53n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from rat liver


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50016317
PNG
(CHEMBL2371674 | [Mpa1Val4MeAla7]AVP (Arginine-vaso...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H65N13O11S2/c1-24(2)37-43(68)55-32(21-34(46)60)41(66)56-33(44(69)58(4)25(3)38(63)53-29(11-8-17-50-45(48)49)39(64)51-22-35(47)61)23-71-70-18-16-36(62)52-30(20-27-12-14-28(59)15-13-27)40(65)54-31(42(67)57-37)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,24-25,29-33,37,59H,8,11,16-23H2,1-4H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t25-,29-,30+,31-,32-,33-,37+/m0/s1
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n/an/an/a 8.20E+10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from rat liver using [3H]-AVP as a radioligand


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50016310
PNG
(CHEMBL406303 | [Mpa1Val4Sar7]AVP (Arginine-vasopre...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H63N13O11S2/c1-24(2)37-42(67)54-31(20-33(45)59)40(65)55-32(43(68)57(3)22-36(62)51-28(10-7-16-49-44(47)48)38(63)50-21-34(46)60)23-70-69-17-15-35(61)52-29(19-26-11-13-27(58)14-12-26)39(64)53-30(41(66)56-37)18-25-8-5-4-6-9-25/h4-6,8-9,11-14,24,28-32,37,58H,7,10,15-23H2,1-3H3,(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,61)(H,53,64)(H,54,67)(H,55,65)(H,56,66)(H4,47,48,49)/t28-,29+,30-,31-,32-,37+/m0/s1
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n/an/an/a 4.20E+10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from rat liver using [3H]-AVP as a radioligand


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50016310
PNG
(CHEMBL406303 | [Mpa1Val4Sar7]AVP (Arginine-vasopre...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H63N13O11S2/c1-24(2)37-42(67)54-31(20-33(45)59)40(65)55-32(43(68)57(3)22-36(62)51-28(10-7-16-49-44(47)48)38(63)50-21-34(46)60)23-70-69-17-15-35(61)52-29(19-26-11-13-27(58)14-12-26)39(64)53-30(41(66)56-37)18-25-8-5-4-6-9-25/h4-6,8-9,11-14,24,28-32,37,58H,7,10,15-23H2,1-3H3,(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,61)(H,53,64)(H,54,67)(H,55,65)(H,56,66)(H4,47,48,49)/t28-,29+,30-,31-,32-,37+/m0/s1
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n/an/an/a 27n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from rat liver


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(BOVINE)
BDBM50016310
PNG
(CHEMBL406303 | [Mpa1Val4Sar7]AVP (Arginine-vasopre...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H63N13O11S2/c1-24(2)37-42(67)54-31(20-33(45)59)40(65)55-32(43(68)57(3)22-36(62)51-28(10-7-16-49-44(47)48)38(63)50-21-34(46)60)23-70-69-17-15-35(61)52-29(19-26-11-13-27(58)14-12-26)39(64)53-30(41(66)56-37)18-25-8-5-4-6-9-25/h4-6,8-9,11-14,24,28-32,37,58H,7,10,15-23H2,1-3H3,(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,61)(H,53,64)(H,54,67)(H,55,65)(H,56,66)(H4,47,48,49)/t28-,29+,30-,31-,32-,37+/m0/s1
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n/an/an/a 1.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50016313
PNG
(CHEMBL217517 | [Val4Sar7]AVP (Arginine-vasopressin...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H64N14O11S2/c1-23(2)36-42(68)55-31(18-33(46)60)40(66)56-32(43(69)58(3)20-35(62)52-28(10-7-15-50-44(48)49)38(64)51-19-34(47)61)22-71-70-21-27(45)37(63)53-29(17-25-11-13-26(59)14-12-25)39(65)54-30(41(67)57-36)16-24-8-5-4-6-9-24/h4-6,8-9,11-14,23,27-32,36,59H,7,10,15-22,45H2,1-3H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t27-,28+,29-,30+,31+,32+,36-/m1/s1
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n/an/an/a 110n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from rat liver


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50016313
PNG
(CHEMBL217517 | [Val4Sar7]AVP (Arginine-vasopressin...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H64N14O11S2/c1-23(2)36-42(68)55-31(18-33(46)60)40(66)56-32(43(69)58(3)20-35(62)52-28(10-7-15-50-44(48)49)38(64)51-19-34(47)61)22-71-70-21-27(45)37(63)53-29(17-25-11-13-26(59)14-12-25)39(65)54-30(41(67)57-36)16-24-8-5-4-6-9-24/h4-6,8-9,11-14,23,27-32,36,59H,7,10,15-22,45H2,1-3H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t27-,28+,29-,30+,31+,32+,36-/m1/s1
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n/an/an/a 1.70E+11n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from rat liver using [3H]-AVP as a radioligand


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(BOVINE)
BDBM50016313
PNG
(CHEMBL217517 | [Val4Sar7]AVP (Arginine-vasopressin...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H64N14O11S2/c1-23(2)36-42(68)55-31(18-33(46)60)40(66)56-32(43(69)58(3)20-35(62)52-28(10-7-15-50-44(48)49)38(64)51-19-34(47)61)22-71-70-21-27(45)37(63)53-29(17-25-11-13-26(59)14-12-25)39(65)54-30(41(67)57-36)16-24-8-5-4-6-9-24/h4-6,8-9,11-14,23,27-32,36,59H,7,10,15-22,45H2,1-3H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t27-,28+,29-,30+,31+,32+,36-/m1/s1
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n/an/an/a 9.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(BOVINE)
BDBM50016317
PNG
(CHEMBL2371674 | [Mpa1Val4MeAla7]AVP (Arginine-vaso...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H65N13O11S2/c1-24(2)37-43(68)55-32(21-34(46)60)41(66)56-33(44(69)58(4)25(3)38(63)53-29(11-8-17-50-45(48)49)39(64)51-22-35(47)61)23-71-70-18-16-36(62)52-30(20-27-12-14-28(59)15-13-27)40(65)54-31(42(67)57-37)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,24-25,29-33,37,59H,8,11,16-23H2,1-4H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t25-,29-,30+,31-,32-,33-,37+/m0/s1
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n/an/an/a 9.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50056796
PNG
(CHEMBL435716 | DEAMINOOXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30+,31-,36-/m0/s1
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n/an/an/a 1.00E+9n/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Antagonist activity in phenoxybenzamine-treated rat by Pressor assay


Eur J Med Chem 42: 799-806 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J
More data for this
Ligand-Target Pair
AVPR2


(BOVINE)
BDBM50016313
PNG
(CHEMBL217517 | [Val4Sar7]AVP (Arginine-vasopressin...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H64N14O11S2/c1-23(2)36-42(68)55-31(18-33(46)60)40(66)56-32(43(69)58(3)20-35(62)52-28(10-7-15-50-44(48)49)38(64)51-19-34(47)61)22-71-70-21-27(45)37(63)53-29(17-25-11-13-26(59)14-12-25)39(65)54-30(41(67)57-36)16-24-8-5-4-6-9-24/h4-6,8-9,11-14,23,27-32,36,59H,7,10,15-22,45H2,1-3H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t27-,28+,29-,30+,31+,32+,36-/m1/s1
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n/an/an/a 8.50E+9n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]-AVP as a radioligand


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair