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116 similar compounds to monomer 50023752

Compile data set for download or QSAR
Wt: 1111.2
BDBM86142
Wt: 969.1
BDBM86143
Wt: 898.0
BDBM86146
Wt: 939.1
BDBM85192
Wt: 1206.4
BDBM85376
Wt: 960.0
BDBM50020699
Wt: 960.0
BDBM50020700
Wt: 1102.3
BDBM50023754
Wt: 1069.2
BDBM50452738
Wt: 1282.5
BDBM50452744
Wt: 1282.5
BDBM50452745
Wt: 1417.7
BDBM50454202
Wt: 1467.7
BDBM50454203
Wt: 1068.2
BDBM50406172
Wt: 1054.2
BDBM50452733
Displayed 1 to 15 (of 116 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 86142,86143,86146,85192,85376,50020699,50020700,50023754,50452738,50452744,50452745,50454202,50454203,50406172,50452733   
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
NPY1R


(RAT)
BDBM85376
PNG
(NPY 28-36, [P30, Y32, L34] | NPY mod28-36, porcine)
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]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C57H91N17O12/c1-7-31(5)45(59)53(84)72-42(29-44(58)77)55(86)74-25-11-14-43(74)52(83)73-46(32(6)8-2)54(85)71-41(28-34-17-21-36(76)22-18-34)51(82)68-38(13-10-24-66-57(63)64)49(80)70-40(26-30(3)4)50(81)67-37(12-9-23-65-56(61)62)48(79)69-39(47(60)78)27-33-15-19-35(75)20-16-33/h15-22,30-32,37-43,45-46,75-76H,7-14,23-29,59H2,1-6H3,(H2,58,77)(H2,60,78)(H,67,81)(H,68,82)(H,69,79)(H,70,80)(H,71,85)(H,72,84)(H,73,83)(H4,61,62,65)(H4,63,64,66)/t31-,32-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Peptides 20: 1043-53 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.003
BindingDB Entry DOI: 10.7270/Q2BR8QQF
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM85192
PNG
(Ac-RYYRIK-NH2 | CAS_200959-48-4)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C44H70N14O9/c1-4-25(2)36(42(67)54-31(37(46)62)9-5-6-20-45)58-39(64)33(11-8-22-52-44(49)50)55-40(65)34(23-27-12-16-29(60)17-13-27)57-41(66)35(24-28-14-18-30(61)19-15-28)56-38(63)32(53-26(3)59)10-7-21-51-43(47)48/h12-19,25,31-36,60-61H,4-11,20-24,45H2,1-3H3,(H2,46,62)(H,53,59)(H,54,67)(H,55,65)(H,56,63)(H,57,66)(H,58,64)(H4,47,48,51)(H4,49,50,52)/t25-,31-,32-,33-,34-,35-,36-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 735-41 (1997)


Article DOI: 10.1016/j.chembiol.2014.12.015
BindingDB Entry DOI: 10.7270/Q2JW8CDH
More data for this
Ligand-Target Pair
NPY1R


(GUINEA PIG)
BDBM85376
PNG
(NPY 28-36, [P30, Y32, L34] | NPY mod28-36, porcine)
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]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C57H91N17O12/c1-7-31(5)45(59)53(84)72-42(29-44(58)77)55(86)74-25-11-14-43(74)52(83)73-46(32(6)8-2)54(85)71-41(28-34-17-21-36(76)22-18-34)51(82)68-38(13-10-24-66-57(63)64)49(80)70-40(26-30(3)4)50(81)67-37(12-9-23-65-56(61)62)48(79)69-39(47(60)78)27-33-15-19-35(75)20-16-33/h15-22,30-32,37-43,45-46,75-76H,7-14,23-29,59H2,1-6H3,(H2,58,77)(H2,60,78)(H,67,81)(H,68,82)(H,69,79)(H,70,80)(H,71,85)(H,72,84)(H,73,83)(H4,61,62,65)(H4,63,64,66)/t31-,32-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Peptides 20: 1043-53 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.003
BindingDB Entry DOI: 10.7270/Q2BR8QQF
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM86142
PNG
(1DMe-Y8Fa | CAS_132709 | NSC_132709)
Show SMILES CC(C)CC(N(C)C(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H78N14O11/c1-32(2)28-44(68(3)53(79)37(56)29-35-18-20-36(70)21-19-35)52(78)67-42(31-34-14-8-5-9-15-34)50(76)65-40(23-25-46(58)72)54(80)69-27-11-17-43(69)51(77)64-39(22-24-45(57)71)49(75)63-38(16-10-26-62-55(60)61)48(74)66-41(47(59)73)30-33-12-6-4-7-13-33/h4-9,12-15,18-21,32,37-44,70H,10-11,16-17,22-31,56H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,73)(H,63,75)(H,64,77)(H,65,76)(H,66,74)(H,67,78)(H4,60,61,62)
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5.30n/an/an/an/an/an/an/an/a



Juvantia Pharma, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 825-32 (2003)


Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2
More data for this
Ligand-Target Pair
NPFF


(RAT)
BDBM86146
PNG
(CAS_0 | NSC_0 | PrRP24-31)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H67N13O9/c1-23(2)19-29(53-37(60)28(21-32(43)56)52-39(62)31-15-10-18-55(31)41(64)34(44)24(3)4)40(63)54-17-9-14-30(54)38(61)49-22-33(57)50-26(13-8-16-48-42(46)47)36(59)51-27(35(45)58)20-25-11-6-5-7-12-25/h5-7,11-12,23-24,26-31,34H,8-10,13-22,44H2,1-4H3,(H2,43,56)(H2,45,58)(H,49,61)(H,50,57)(H,51,59)(H,52,62)(H,53,60)(H4,46,47,48)/t26-,27-,28-,29-,30-,31-,34-/m0/s1
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11n/an/an/an/an/an/an/an/a



Juvantia Pharma, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 825-32 (2003)


Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2
More data for this
Ligand-Target Pair
NPFF


(RAT)
BDBM86143
PNG
(L-Val-L-Pro-L-Asn-L-Leu-L-Pro-L-Gln-L-Arg-L-Phe-NH...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H72N14O10/c1-24(2)21-31(57-40(65)30(23-35(47)61)56-42(67)33-15-10-20-59(33)44(69)36(48)25(3)4)43(68)58-19-9-14-32(58)41(66)54-28(16-17-34(46)60)39(64)53-27(13-8-18-52-45(50)51)38(63)55-29(37(49)62)22-26-11-6-5-7-12-26/h5-7,11-12,24-25,27-33,36H,8-10,13-23,48H2,1-4H3,(H2,46,60)(H2,47,61)(H2,49,62)(H,53,64)(H,54,66)(H,55,63)(H,56,67)(H,57,65)(H4,50,51,52)/t27-,28-,29-,30-,31-,32-,33-,36-/m0/s1
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19n/an/an/an/an/an/an/an/a



Juvantia Pharma, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 825-32 (2003)


Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM86146
PNG
(CAS_0 | NSC_0 | PrRP24-31)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H67N13O9/c1-23(2)19-29(53-37(60)28(21-32(43)56)52-39(62)31-15-10-18-55(31)41(64)34(44)24(3)4)40(63)54-17-9-14-30(54)38(61)49-22-33(57)50-26(13-8-16-48-42(46)47)36(59)51-27(35(45)58)20-25-11-6-5-7-12-25/h5-7,11-12,23-24,26-31,34H,8-10,13-22,44H2,1-4H3,(H2,43,56)(H2,45,58)(H,49,61)(H,50,57)(H,51,59)(H,52,62)(H,53,60)(H4,46,47,48)/t26-,27-,28-,29-,30-,31-,34-/m0/s1
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32n/an/an/an/an/an/an/an/a



Juvantia Pharma, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 825-32 (2003)


Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM86146
PNG
(CAS_0 | NSC_0 | PrRP24-31)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H67N13O9/c1-23(2)19-29(53-37(60)28(21-32(43)56)52-39(62)31-15-10-18-55(31)41(64)34(44)24(3)4)40(63)54-17-9-14-30(54)38(61)49-22-33(57)50-26(13-8-16-48-42(46)47)36(59)51-27(35(45)58)20-25-11-6-5-7-12-25/h5-7,11-12,23-24,26-31,34H,8-10,13-22,44H2,1-4H3,(H2,43,56)(H2,45,58)(H,49,61)(H,50,57)(H,51,59)(H,52,62)(H,53,60)(H4,46,47,48)/t26-,27-,28-,29-,30-,31-,34-/m0/s1
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47n/an/an/an/an/an/an/an/a



Juvantia Pharma, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 825-32 (2003)


Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM86143
PNG
(L-Val-L-Pro-L-Asn-L-Leu-L-Pro-L-Gln-L-Arg-L-Phe-NH...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H72N14O10/c1-24(2)21-31(57-40(65)30(23-35(47)61)56-42(67)33-15-10-20-59(33)44(69)36(48)25(3)4)43(68)58-19-9-14-32(58)41(66)54-28(16-17-34(46)60)39(64)53-27(13-8-18-52-45(50)51)38(63)55-29(37(49)62)22-26-11-6-5-7-12-26/h5-7,11-12,24-25,27-33,36H,8-10,13-23,48H2,1-4H3,(H2,46,60)(H2,47,61)(H2,49,62)(H,53,64)(H,54,66)(H,55,63)(H,56,67)(H,57,65)(H4,50,51,52)/t27-,28-,29-,30-,31-,32-,33-,36-/m0/s1
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55n/an/an/an/an/an/an/an/a



Juvantia Pharma, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 825-32 (2003)


Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2
More data for this
Ligand-Target Pair
NPY2R


(GUINEA PIG)
BDBM85376
PNG
(NPY 28-36, [P30, Y32, L34] | NPY mod28-36, porcine)
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]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C57H91N17O12/c1-7-31(5)45(59)53(84)72-42(29-44(58)77)55(86)74-25-11-14-43(74)52(83)73-46(32(6)8-2)54(85)71-41(28-34-17-21-36(76)22-18-34)51(82)68-38(13-10-24-66-57(63)64)49(80)70-40(26-30(3)4)50(81)67-37(12-9-23-65-56(61)62)48(79)69-39(47(60)78)27-33-15-19-35(75)20-16-33/h15-22,30-32,37-43,45-46,75-76H,7-14,23-29,59H2,1-6H3,(H2,58,77)(H2,60,78)(H,67,81)(H,68,82)(H,69,79)(H,70,80)(H,71,85)(H,72,84)(H,73,83)(H4,61,62,65)(H4,63,64,66)/t31-,32-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1
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295n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50020700
PNG
(1-(2,5-Dibenzyl-11-carbamoylmethyl-8-isopropyl-3,6...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N13O10/c1-26(2)38-44(68)57-33(24-35(47)60)41(65)55-30(45(69)59-21-11-18-34(59)43(67)54-29(17-10-20-51-46(49)50)39(63)52-25-36(48)61)16-9-19-37(62)53-31(22-27-12-5-3-6-13-27)40(64)56-32(42(66)58-38)23-28-14-7-4-8-15-28/h3-8,12-15,26,29-34,38H,9-11,16-25H2,1-2H3,(H2,47,60)(H2,48,61)(H,52,63)(H,53,62)(H,54,67)(H,55,65)(H,56,64)(H,57,68)(H,58,66)(H4,49,50,51)/t29-,30-,31-,32-,33-,34-,38-/m0/s1
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7.00E+3n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LVP-sensitive adenylate cyclase in a pig renal medullary preparation


J Med Chem 31: 742-4 (1988)


Article DOI: 10.1021/jm00399a009
BindingDB Entry DOI: 10.7270/Q2VD6XFS
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50020699
PNG
(1-(2,5-Dibenzyl-11-carbamoylmethyl-8-isopropyl-3,6...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N13O10/c1-26(2)38-44(68)57-33(24-35(47)60)41(65)55-30(45(69)59-21-11-18-34(59)43(67)54-29(17-10-20-51-46(49)50)39(63)52-25-36(48)61)16-9-19-37(62)53-31(22-27-12-5-3-6-13-27)40(64)56-32(42(66)58-38)23-28-14-7-4-8-15-28/h3-8,12-15,26,29-34,38H,9-11,16-25H2,1-2H3,(H2,47,60)(H2,48,61)(H,52,63)(H,53,62)(H,54,67)(H,55,65)(H,56,64)(H,57,68)(H,58,66)(H4,49,50,51)/t29-,30+,31-,32-,33-,34-,38-/m0/s1
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9.20E+3n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LVP-sensitive adenylate cyclase in a pig renal medullary preparation


J Med Chem 31: 742-4 (1988)


Article DOI: 10.1021/jm00399a009
BindingDB Entry DOI: 10.7270/Q2VD6XFS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM86143
PNG
(L-Val-L-Pro-L-Asn-L-Leu-L-Pro-L-Gln-L-Arg-L-Phe-NH...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H72N14O10/c1-24(2)21-31(57-40(65)30(23-35(47)61)56-42(67)33-15-10-20-59(33)44(69)36(48)25(3)4)43(68)58-19-9-14-32(58)41(66)54-28(16-17-34(46)60)39(64)53-27(13-8-18-52-45(50)51)38(63)55-29(37(49)62)22-26-11-6-5-7-12-26/h5-7,11-12,24-25,27-33,36H,8-10,13-23,48H2,1-4H3,(H2,46,60)(H2,47,61)(H2,49,62)(H,53,64)(H,54,66)(H,55,63)(H,56,67)(H,57,65)(H4,50,51,52)/t27-,28-,29-,30-,31-,32-,33-,36-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Juvantia Pharma, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 825-32 (2003)


Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50023754
PNG
(13-Benzyl-19-carbamoylmethyl-10-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)CCCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C54H83N15O10/c1-4-79-35-21-19-34(20-22-35)29-39-48(75)67-40(28-33-14-7-5-8-15-33)50(77)69-44(32(2)3)51(78)68-41(30-42(55)70)49(76)66-37(16-11-25-54(31-43(71)63-39)23-9-6-10-24-54)47(74)65-38(18-13-27-62-53(59)60)46(73)64-36(45(56)72)17-12-26-61-52(57)58/h5,7-8,14-15,19-22,32,36-41,44H,4,6,9-13,16-18,23-31H2,1-3H3,(H2,55,70)(H2,56,72)(H,63,71)(H,64,73)(H,65,74)(H,66,76)(H,67,75)(H,68,78)(H,69,77)(H4,57,58,61)(H4,59,60,62)/t36-,37?,38+,39-,40+,41+,44+/m1/s1
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4.00E+5n/an/an/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonist activity of the compound was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in...


J Med Chem 31: 1487-9 (1988)


Article DOI: 10.1021/jm00403a001
BindingDB Entry DOI: 10.7270/Q2S46QZN
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50023754
PNG
(13-Benzyl-19-carbamoylmethyl-10-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)CCCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C54H83N15O10/c1-4-79-35-21-19-34(20-22-35)29-39-48(75)67-40(28-33-14-7-5-8-15-33)50(77)69-44(32(2)3)51(78)68-41(30-42(55)70)49(76)66-37(16-11-25-54(31-43(71)63-39)23-9-6-10-24-54)47(74)65-38(18-13-27-62-53(59)60)46(73)64-36(45(56)72)17-12-26-61-52(57)58/h5,7-8,14-15,19-22,32,36-41,44H,4,6,9-13,16-18,23-31H2,1-3H3,(H2,55,70)(H2,56,72)(H,63,71)(H,64,73)(H,65,74)(H,66,76)(H,67,75)(H,68,78)(H,69,77)(H4,57,58,61)(H4,59,60,62)/t36-,37?,38+,39-,40+,41+,44+/m1/s1
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3.90E+6n/an/an/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonist activity of the compound was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in...


J Med Chem 31: 1487-9 (1988)


Article DOI: 10.1021/jm00403a001
BindingDB Entry DOI: 10.7270/Q2S46QZN
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50406172
PNG
(CHEMBL2373516)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C54H77N13O10/c1-4-77-37-24-22-36(23-25-37)30-40(61-45(69)31-35-17-9-6-10-18-35)48(71)64-41(29-34-15-7-5-8-16-34)50(73)66-46(33(2)3)52(75)65-42(32-44(56)68)49(72)63-39(19-11-12-26-55)53(76)67-28-14-21-43(67)51(74)62-38(47(57)70)20-13-27-60-54(58)59/h5-10,15-18,22-25,33,38-43,46H,4,11-14,19-21,26-32,55H2,1-3H3,(H2,56,68)(H2,57,70)(H,61,69)(H,62,74)(H,63,72)(H,64,71)(H,65,75)(H,66,73)(H4,58,59,60)/t38-,39-,40+,41-,42-,43+,46-/m0/s1
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n/an/an/a 15.5n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM86143
PNG
(L-Val-L-Pro-L-Asn-L-Leu-L-Pro-L-Gln-L-Arg-L-Phe-NH...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H72N14O10/c1-24(2)21-31(57-40(65)30(23-35(47)61)56-42(67)33-15-10-20-59(33)44(69)36(48)25(3)4)43(68)58-19-9-14-32(58)41(66)54-28(16-17-34(46)60)39(64)53-27(13-8-18-52-45(50)51)38(63)55-29(37(49)62)22-26-11-6-5-7-12-26/h5-7,11-12,24-25,27-33,36H,8-10,13-23,48H2,1-4H3,(H2,46,60)(H2,47,61)(H2,49,62)(H,53,64)(H,54,66)(H,55,63)(H,56,67)(H,57,65)(H4,50,51,52)/t27-,28-,29-,30-,31-,32-,33-,36-/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in COS1 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation ...


J Med Chem 55: 6124-36 (2012)


Article DOI: 10.1021/jm300535s
BindingDB Entry DOI: 10.7270/Q26974PV
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM86143
PNG
(L-Val-L-Pro-L-Asn-L-Leu-L-Pro-L-Gln-L-Arg-L-Phe-NH...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H72N14O10/c1-24(2)21-31(57-40(65)30(23-35(47)61)56-42(67)33-15-10-20-59(33)44(69)36(48)25(3)4)43(68)58-19-9-14-32(58)41(66)54-28(16-17-34(46)60)39(64)53-27(13-8-18-52-45(50)51)38(63)55-29(37(49)62)22-26-11-6-5-7-12-26/h5-7,11-12,24-25,27-33,36H,8-10,13-23,48H2,1-4H3,(H2,46,60)(H2,47,61)(H2,49,62)(H,53,64)(H,54,66)(H,55,63)(H,56,67)(H,57,65)(H4,50,51,52)/t27-,28-,29-,30-,31-,32-,33-,36-/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a



Leipzig University

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in COS1 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation ...


J Med Chem 55: 6124-36 (2012)


Article DOI: 10.1021/jm300535s
BindingDB Entry DOI: 10.7270/Q26974PV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50454202
PNG
(CHEMBL2369126)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C67H112N22O12/c1-7-39(5)53(87-52(91)37-80-56(93)44(69)35-42-25-27-43(90)28-26-42)62(99)86-50(36-41-18-10-9-11-19-41)60(97)85-49(34-38(3)4)59(96)83-46(21-14-30-77-65(71)72)57(94)82-47(22-15-31-78-66(73)74)58(95)88-54(40(6)8-2)63(100)84-48(23-16-32-79-67(75)76)64(101)89-33-17-24-51(89)61(98)81-45(55(70)92)20-12-13-29-68/h9-11,18-19,25-28,38-40,44-51,53-54,90H,7-8,12-17,20-24,29-37,68-69H2,1-6H3,(H2,70,92)(H,80,93)(H,81,98)(H,82,94)(H,83,96)(H,84,100)(H,85,97)(H,86,99)(H,87,91)(H,88,95)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t39-,40+,44+,45+,46+,47+,48+,49+,50+,51+,53-,54+/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonistic activity towards Opioid receptor delta 1 was determined by evaluating the inhibitory activity towards electrically stimulated mouse vas def...


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50454202
PNG
(CHEMBL2369126)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C67H112N22O12/c1-7-39(5)53(87-52(91)37-80-56(93)44(69)35-42-25-27-43(90)28-26-42)62(99)86-50(36-41-18-10-9-11-19-41)60(97)85-49(34-38(3)4)59(96)83-46(21-14-30-77-65(71)72)57(94)82-47(22-15-31-78-66(73)74)58(95)88-54(40(6)8-2)63(100)84-48(23-16-32-79-67(75)76)64(101)89-33-17-24-51(89)61(98)81-45(55(70)92)20-12-13-29-68/h9-11,18-19,25-28,38-40,44-51,53-54,90H,7-8,12-17,20-24,29-37,68-69H2,1-6H3,(H2,70,92)(H,80,93)(H,81,98)(H,82,94)(H,83,96)(H,84,100)(H,85,97)(H,86,99)(H,87,91)(H,88,95)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t39-,40+,44+,45+,46+,47+,48+,49+,50+,51+,53-,54+/m1/s1
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n/an/a 55n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding [3H]U-69,539 at Opioid receptor kappa 1 of guinea pig brain membrane (GPB) homogenates.


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50454202
PNG
(CHEMBL2369126)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C67H112N22O12/c1-7-39(5)53(87-52(91)37-80-56(93)44(69)35-42-25-27-43(90)28-26-42)62(99)86-50(36-41-18-10-9-11-19-41)60(97)85-49(34-38(3)4)59(96)83-46(21-14-30-77-65(71)72)57(94)82-47(22-15-31-78-66(73)74)58(95)88-54(40(6)8-2)63(100)84-48(23-16-32-79-67(75)76)64(101)89-33-17-24-51(89)61(98)81-45(55(70)92)20-12-13-29-68/h9-11,18-19,25-28,38-40,44-51,53-54,90H,7-8,12-17,20-24,29-37,68-69H2,1-6H3,(H2,70,92)(H,80,93)(H,81,98)(H,82,94)(H,83,96)(H,84,100)(H,85,97)(H,86,99)(H,87,91)(H,88,95)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t39-,40+,44+,45+,46+,47+,48+,49+,50+,51+,53-,54+/m1/s1
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n/an/a 1.03E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding [3H]-DAMGO at Opioid receptor mu 1 of guinea pig brain membrane (GPB) homogenates.


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50454203
PNG
(CHEMBL2369896)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C70H110N22O13/c1-5-41(4)57(66(104)88-51(20-13-33-82-70(78)79)67(105)92-34-14-21-55(92)65(103)85-48(58(73)96)17-9-10-30-71)91-61(99)50(19-12-32-81-69(76)77)86-60(98)49(18-11-31-80-68(74)75)87-62(100)52(35-40(2)3)89-64(102)54(37-42-15-7-6-8-16-42)90-63(101)53(38-44-24-28-46(94)29-25-44)84-56(95)39-83-59(97)47(72)36-43-22-26-45(93)27-23-43/h6-8,15-16,22-29,40-41,47-55,57,93-94H,5,9-14,17-21,30-39,71-72H2,1-4H3,(H2,73,96)(H,83,97)(H,84,95)(H,85,103)(H,86,98)(H,87,100)(H,88,104)(H,89,102)(H,90,101)(H,91,99)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t41-,47-,48-,49-,50-,51-,52-,53-,54-,55-,57-/m0/s1
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n/an/a 8.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding [3H]U-69,539 at Opioid receptor kappa 1 of guinea pig brain membrane (GPB) homogenates.


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50454203
PNG
(CHEMBL2369896)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C70H110N22O13/c1-5-41(4)57(66(104)88-51(20-13-33-82-70(78)79)67(105)92-34-14-21-55(92)65(103)85-48(58(73)96)17-9-10-30-71)91-61(99)50(19-12-32-81-69(76)77)86-60(98)49(18-11-31-80-68(74)75)87-62(100)52(35-40(2)3)89-64(102)54(37-42-15-7-6-8-16-42)90-63(101)53(38-44-24-28-46(94)29-25-44)84-56(95)39-83-59(97)47(72)36-43-22-26-45(93)27-23-43/h6-8,15-16,22-29,40-41,47-55,57,93-94H,5,9-14,17-21,30-39,71-72H2,1-4H3,(H2,73,96)(H,83,97)(H,84,95)(H,85,103)(H,86,98)(H,87,100)(H,88,104)(H,89,102)(H,90,101)(H,91,99)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t41-,47-,48-,49-,50-,51-,52-,53-,54-,55-,57-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding [3H]cyclo[D-Pen2,p-Cl,-Phe4,D-Pen5] enkephalin to Opioid receptor delta 1 of guinea pig brain membrane (GPB) homogenates.


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50454203
PNG
(CHEMBL2369896)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C70H110N22O13/c1-5-41(4)57(66(104)88-51(20-13-33-82-70(78)79)67(105)92-34-14-21-55(92)65(103)85-48(58(73)96)17-9-10-30-71)91-61(99)50(19-12-32-81-69(76)77)86-60(98)49(18-11-31-80-68(74)75)87-62(100)52(35-40(2)3)89-64(102)54(37-42-15-7-6-8-16-42)90-63(101)53(38-44-24-28-46(94)29-25-44)84-56(95)39-83-59(97)47(72)36-43-22-26-45(93)27-23-43/h6-8,15-16,22-29,40-41,47-55,57,93-94H,5,9-14,17-21,30-39,71-72H2,1-4H3,(H2,73,96)(H,83,97)(H,84,95)(H,85,103)(H,86,98)(H,87,100)(H,88,104)(H,89,102)(H,90,101)(H,91,99)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t41-,47-,48-,49-,50-,51-,52-,53-,54-,55-,57-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding [3H]-DAMGO at Opioid receptor mu 1 of guinea pig brain membrane (GPB) homogenates.


J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50452733
PNG
(CHEMBL2373423)
Show SMILES COc1ccc(C[C@@H](NC(=O)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C53H75N13O10/c1-32(2)45(65-49(72)40(28-33-14-6-4-7-15-33)63-47(70)39(29-35-21-23-36(76-3)24-22-35)60-44(68)30-34-16-8-5-9-17-34)51(74)64-41(31-43(55)67)48(71)62-38(18-10-11-25-54)52(75)66-27-13-20-42(66)50(73)61-37(46(56)69)19-12-26-59-53(57)58/h4-9,14-17,21-24,32,37-42,45H,10-13,18-20,25-31,54H2,1-3H3,(H2,55,67)(H2,56,69)(H,60,68)(H,61,73)(H,62,71)(H,63,70)(H,64,74)(H,65,72)(H4,57,58,59)/t37-,38-,39+,40-,41-,42+,45-/m0/s1
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n/an/an/a 100n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50452744
PNG
(CHEMBL2370380)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C62H95N19O11/c1-34(2)50(80-55(89)45(27-35-10-4-3-5-11-35)78-53(87)44(28-36-16-18-40(82)19-17-36)74-49(84)33-62-30-37-24-38(31-62)26-39(25-37)32-62)57(91)79-46(29-48(63)83)54(88)77-43(14-8-22-73-61(69)70)58(92)81-23-9-15-47(81)56(90)76-42(13-7-21-72-60(67)68)52(86)75-41(51(64)85)12-6-20-71-59(65)66/h3-5,10-11,16-19,34,37-39,41-47,50,82H,6-9,12-15,20-33H2,1-2H3,(H2,63,83)(H2,64,85)(H,74,84)(H,75,86)(H,76,90)(H,77,88)(H,78,87)(H,79,91)(H,80,89)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t37?,38?,39?,41-,42-,43-,44+,45-,46-,47+,50-,62?/m0/s1
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n/an/an/a 22n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50452738
PNG
(CHEMBL2373374)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C52H72N14O11/c53-24-8-7-15-37(51(77)66-26-10-17-41(66)50(76)61-35(45(56)71)16-9-25-59-52(57)58)63-49(75)40(30-43(55)69)65-46(72)36(22-23-42(54)68)62-48(74)39(27-31-11-3-1-4-12-31)64-47(73)38(28-33-18-20-34(67)21-19-33)60-44(70)29-32-13-5-2-6-14-32/h1-6,11-14,18-21,35-41,67H,7-10,15-17,22-30,53H2,(H2,54,68)(H2,55,69)(H2,56,71)(H,60,70)(H,61,76)(H,62,74)(H,63,75)(H,64,73)(H,65,72)(H4,57,58,59)/t35-,36-,37-,38+,39-,40-,41+/m0/s1
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n/an/an/a 63n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50452745
PNG
(CHEMBL2370381)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C64H99N17O11/c1-4-92-43-21-19-39(20-22-43)31-47(74-52(83)36-64-33-40-27-41(34-64)29-42(28-40)35-64)56(86)78-48(30-38-13-6-5-7-14-38)58(88)80-53(37(2)3)60(90)79-49(32-51(66)82)57(87)77-46(15-8-9-23-65)61(91)81-26-12-18-50(81)59(89)76-45(17-11-25-73-63(70)71)55(85)75-44(54(67)84)16-10-24-72-62(68)69/h5-7,13-14,19-22,37,40-42,44-50,53H,4,8-12,15-18,23-36,65H2,1-3H3,(H2,66,82)(H2,67,84)(H,74,83)(H,75,85)(H,76,89)(H,77,87)(H,78,86)(H,79,90)(H,80,88)(H4,68,69,72)(H4,70,71,73)/t40?,41?,42?,44-,45-,46-,47+,48-,49-,50+,53-,64?/m0/s1
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n/an/an/a 20n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair