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108 similar compounds to monomer 50291822

Compile data set for download or QSAR
Wt: 1084.2
BDBM35667
Wt: 940.2
BDBM50020666
Wt: 1028.2
BDBM50016317
Wt: 1092.3
BDBM50020698
Wt: 1138.4
BDBM50023750
Wt: 982.2
BDBM50023751
Wt: 1133.3
BDBM50030072
Wt: 1178.3
BDBM50030066
Wt: 1137.2
BDBM50030065
Wt: 1051.1
BDBM50030061
Wt: 1150.2
BDBM50030041
Wt: 1136.2
BDBM50030054
Wt: 1199.3
BDBM50030071
Wt: 1109.1
BDBM50030040
Wt: 1204.3
BDBM50030031
Displayed 1 to 15 (of 107 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 67 hits for monomerid = 35667,50020666,50016317,50020698,50023750,50023751,50030072,50030066,50030065,50030061,50030041,50030054,50030071,50030040,50030031   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin receptor


(RAT)
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.230n/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
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.460n/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
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1b receptor expressed in CHO cells after 30 mins


J Med Chem 55: 8588-602 (2012)


Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.620n/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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1a receptor expressed in CHO cells after 30 mins


J Med Chem 55: 8588-602 (2012)


Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.950n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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1.09n/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)
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


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


J Med Chem 50: 835-47 (2007)


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


(Homo sapiens (Human))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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1.36n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins by saturation binding assay


J Med Chem 55: 8588-602 (2012)


Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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1.45n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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1.48n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins


J Med Chem 55: 8588-602 (2012)


Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50023750
PNG
(1-[19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzy...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSCC(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/C52H79N15O10S2/c1-4-77-33-19-17-32(18-20-33)26-36-45(72)64-37(25-31-13-7-5-8-14-31)47(74)67-42(30(2)3)49(76)65-38(27-40(53)68)46(73)66-39(29-78-79-52(28-41(69)61-36)21-9-6-10-22-52)48(75)63-35(16-12-24-60-51(57)58)44(71)62-34(43(54)70)15-11-23-59-50(55)56/h5,7-8,13-14,17-20,30,34-39,42H,4,6,9-12,15-16,21-29H2,1-3H3,(H2,53,68)(H2,54,70)(H,61,69)(H,62,71)(H,63,75)(H,64,72)(H,65,76)(H,66,73)(H,67,74)(H4,55,56,59)(H4,57,58,60)/t34-,35+,36-,37+,38+,39?,42+/m1/s1
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1.60n/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
Oxytocin receptor


(HEK293)
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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1.65n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human oxytocin receptor expressed in CHO cells after 30 mins


J Med Chem 55: 8588-602 (2012)


Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50023751
PNG
(19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSCC(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(N)=O)cc1
Show InChI InChI=1S/C46H67N11O9S2/c1-4-66-30-17-15-29(16-18-30)23-32-40(61)54-33(22-28-12-7-5-8-13-28)42(63)57-38(27(2)3)44(65)55-34(24-36(47)58)41(62)56-35(43(64)53-31(39(48)60)14-11-21-51-45(49)50)26-67-68-46(25-37(59)52-32)19-9-6-10-20-46/h5,7-8,12-13,15-18,27,31-35,38H,4,6,9-11,14,19-26H2,1-3H3,(H2,47,58)(H2,48,60)(H,52,59)(H,53,64)(H,54,61)(H,55,65)(H,56,62)(H,57,63)(H4,49,50,51)/t31-,32+,33-,34-,35?,38-/m0/s1
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2.90n/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))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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3.23n/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
Vasopressin V2 receptor


(Sus scrofa)
BDBM50020666
PNG
(13-(2-Amino-ethyl)-19-benzyl-22-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O)cc1
Show InChI InChI=1S/C46H69N9O8S2/c1-4-63-32-18-16-31(17-19-32)26-35-42(59)53-36(25-30-13-7-5-8-14-30)43(60)55-39(29(2)3)45(62)52-34(20-24-48)41(58)54-37(44(61)51-33(40(49)57)15-9-12-23-47)28-64-65-46(27-38(56)50-35)21-10-6-11-22-46/h5,7-8,13-14,16-19,29,33-37,39H,4,6,9-12,15,20-28,47-48H2,1-3H3,(H2,49,57)(H,50,56)(H,51,61)(H,52,62)(H,53,59)(H,54,58)(H,55,60)/t33-,34+,35-,36+,37+,39-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LVP stimulated adenylate cyclase activity in pig kidney medullary membrane


J Med Chem 29: 984-8 (1986)


Article DOI: 10.1021/jm00156a015
BindingDB Entry DOI: 10.7270/Q27M06W4
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50020698
PNG
(1-(13,16-Dibenzyl-7-carbamoylmethyl-20-cyclopentyl...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC(SSC[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)C1CCCC1
Show InChI InChI=1S/C51H73N13O10S2/c1-29(2)43-49(73)61-36(25-40(52)65)46(70)62-37(50(74)64-22-12-20-38(64)48(72)59-33(19-11-21-56-51(54)55)44(68)57-27-41(53)66)28-75-76-39(32-17-9-10-18-32)26-42(67)58-34(23-30-13-5-3-6-14-30)45(69)60-35(47(71)63-43)24-31-15-7-4-8-16-31/h3-8,13-16,29,32-39,43H,9-12,17-28H2,1-2H3,(H2,52,65)(H2,53,66)(H,57,68)(H,58,67)(H,59,72)(H,60,69)(H,61,73)(H,62,70)(H,63,71)(H4,54,55,56)/t33-,34-,35-,36-,37-,38-,39?,43-/m0/s1
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46n/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 (V2)


(Homo sapiens (Human))
BDBM50023750
PNG
(1-[19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzy...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSCC(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/C52H79N15O10S2/c1-4-77-33-19-17-32(18-20-33)26-36-45(72)64-37(25-31-13-7-5-8-14-31)47(74)67-42(30(2)3)49(76)65-38(27-40(53)68)46(73)66-39(29-78-79-52(28-41(69)61-36)21-9-6-10-22-52)48(75)63-35(16-12-24-60-51(57)58)44(71)62-34(43(54)70)15-11-23-59-50(55)56/h5,7-8,13-14,17-20,30,34-39,42H,4,6,9-12,15-16,21-29H2,1-3H3,(H2,53,68)(H2,54,70)(H,61,69)(H,62,71)(H,63,75)(H,64,72)(H,65,76)(H,66,73)(H,67,74)(H4,55,56,59)(H4,57,58,60)/t34-,35+,36-,37+,38+,39?,42+/m1/s1
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5.00E+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 V2 receptor (V2)


(Homo sapiens (Human))
BDBM50023751
PNG
(19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSCC(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(N)=O)cc1
Show InChI InChI=1S/C46H67N11O9S2/c1-4-66-30-17-15-29(16-18-30)23-32-40(61)54-33(22-28-12-7-5-8-13-28)42(63)57-38(27(2)3)44(65)55-34(24-36(47)58)41(62)56-35(43(64)53-31(39(48)60)14-11-21-51-45(49)50)26-67-68-46(25-37(59)52-32)19-9-6-10-20-46/h5,7-8,12-13,15-18,27,31-35,38H,4,6,9-11,14,19-26H2,1-3H3,(H2,47,58)(H2,48,60)(H,52,59)(H,53,64)(H,54,61)(H,55,65)(H,56,62)(H,57,63)(H4,49,50,51)/t31-,32+,33-,34-,35?,38-/m0/s1
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1.50E+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 receptor


(Homo sapiens (Human))
BDBM50023750
PNG
(1-[19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzy...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSCC(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/C52H79N15O10S2/c1-4-77-33-19-17-32(18-20-33)26-36-45(72)64-37(25-31-13-7-5-8-14-31)47(74)67-42(30(2)3)49(76)65-38(27-40(53)68)46(73)66-39(29-78-79-52(28-41(69)61-36)21-9-6-10-22-52)48(75)63-35(16-12-24-60-51(57)58)44(71)62-34(43(54)70)15-11-23-59-50(55)56/h5,7-8,13-14,17-20,30,34-39,42H,4,6,9-12,15-16,21-29H2,1-3H3,(H2,53,68)(H2,54,70)(H,61,69)(H,62,71)(H,63,75)(H,64,72)(H,65,76)(H,66,73)(H,67,74)(H4,55,56,59)(H4,57,58,60)/t34-,35+,36-,37+,38+,39?,42+/m1/s1
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2.40E+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))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/a 1.5n/an/an/an/an/a



Albert Szent-Gy£rgyi Medical University

Curated by ChEMBL


Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor


Bioorg Med Chem Lett 9: 667-72 (1999)


Article DOI: 10.1016/s0960-894x(99)00041-4
BindingDB Entry DOI: 10.7270/Q2QC040K
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
AVPR1A


(RAT)
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/a 0.640n/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Binding potency against V1 receptor in rat liver cells


J Med Chem 35: 151-7 (1992)


Article DOI: 10.1021/jm00079a020
BindingDB Entry DOI: 10.7270/Q2668DT9
More data for this
Ligand-Target Pair
AVPR2


(BOVINE)
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/a 1.5n/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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030031
PNG
(Ac-(Pmc)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371523)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C50H77N17O14S2/c1-26(68)60-39-46(79)65-33(22-36(51)69)47(80)67-20-8-11-35(67)45(78)63-29(9-6-18-57-48(53)54)41(74)59-24-37(70)61-32(23-38(71)72)44(77)64-31(21-27-12-14-28(81-2)15-13-27)43(76)62-30(10-7-19-58-49(55)56)42(75)66-34(40(52)73)25-82-83-50(39)16-4-3-5-17-50/h12-15,29-35,39H,3-11,16-25H2,1-2H3,(H2,51,69)(H2,52,73)(H,59,74)(H,60,68)(H,61,70)(H,62,76)(H,63,78)(H,64,77)(H,65,79)(H,66,75)(H,71,72)(H4,53,54,57)(H4,55,56,58)/t29-,30-,31+,32-,33-,34-,35+,39+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030041
PNG
(Ac-C-N-P-R-G-D-(Y-OEt)-R-C-NH2 | CHEMBL2371506)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C46H71N17O14S2/c1-3-77-25-12-10-24(11-13-25)17-28-40(72)58-27(8-5-15-54-46(51)52)39(71)62-31(37(48)69)21-78-79-22-32(56-23(2)64)42(74)61-30(18-34(47)65)44(76)63-16-6-9-33(63)43(75)59-26(7-4-14-53-45(49)50)38(70)55-20-35(66)57-29(19-36(67)68)41(73)60-28/h10-13,26-33H,3-9,14-22H2,1-2H3,(H2,47,65)(H2,48,69)(H,55,70)(H,56,64)(H,57,66)(H,58,72)(H,59,75)(H,60,73)(H,61,74)(H,62,71)(H,67,68)(H4,49,50,53)(H4,51,52,54)/t26-,27-,28+,29-,30-,31-,32-,33+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030054
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371505 | T...)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H69N17O14S2/c1-22(63)55-31-21-78-77-20-30(36(47)68)61-38(70)26(7-4-14-53-45(50)51)57-39(71)27(16-23-9-11-24(76-2)12-10-23)59-40(72)28(18-35(66)67)56-34(65)19-54-37(69)25(6-3-13-52-44(48)49)58-42(74)32-8-5-15-62(32)43(75)29(17-33(46)64)60-41(31)73/h9-12,25-32H,3-8,13-21H2,1-2H3,(H2,46,64)(H2,47,68)(H,54,69)(H,55,63)(H,56,65)(H,57,71)(H,58,74)(H,59,72)(H,60,73)(H,61,70)(H,66,67)(H4,48,49,52)(H4,50,51,53)/t25-,26+,27+,28-,29-,30+,31+,32+/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030061
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-(DR)-C-NH2 | CHEMBL2371520)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C42H62N14O14S2/c1-20-35(63)55-28(34(44)62)18-71-72-19-29(50-21(2)57)39(67)54-27(15-31(43)58)41(69)56-13-5-7-30(56)40(68)52-24(6-4-12-47-42(45)46)36(64)48-17-32(59)51-26(16-33(60)61)38(66)53-25(37(65)49-20)14-22-8-10-23(70-3)11-9-22/h8-11,20,24-30H,4-7,12-19H2,1-3H3,(H2,43,58)(H2,44,62)(H,48,64)(H,49,65)(H,50,57)(H,51,59)(H,52,68)(H,53,66)(H,54,67)(H,55,63)(H,60,61)(H4,45,46,47)/t20-,24+,25-,26+,27+,28-,29-,30-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030065
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-Cit-C-NH2 | CHEMBL2371503)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H68N16O15S2/c1-22(62)54-31-21-78-77-20-30(36(47)67)60-38(69)26(7-4-14-52-45(50)75)56-39(70)27(16-23-9-11-24(76-2)12-10-23)58-40(71)28(18-35(65)66)55-34(64)19-53-37(68)25(6-3-13-51-44(48)49)57-42(73)32-8-5-15-61(32)43(74)29(17-33(46)63)59-41(31)72/h9-12,25-32H,3-8,13-21H2,1-2H3,(H2,46,63)(H2,47,67)(H,53,68)(H,54,62)(H,55,64)(H,56,70)(H,57,73)(H,58,71)(H,59,72)(H,60,69)(H,65,66)(H4,48,49,51)(H3,50,52,75)/t25-,26+,27+,28-,29-,30+,31+,32+/m1/s1
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n/an/a 352n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030066
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-O-C-NH2 | CHEMBL2371530)
Show SMILES CCCCOc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C48H75N17O14S2/c1-3-4-18-79-27-13-11-26(12-14-27)19-30-42(74)60-29(9-6-16-56-48(53)54)41(73)64-33(39(50)71)23-80-81-24-34(58-25(2)66)44(76)63-32(20-36(49)67)46(78)65-17-7-10-35(65)45(77)61-28(8-5-15-55-47(51)52)40(72)57-22-37(68)59-31(21-38(69)70)43(75)62-30/h11-14,28-35H,3-10,15-24H2,1-2H3,(H2,49,67)(H2,50,71)(H,57,72)(H,58,66)(H,59,68)(H,60,74)(H,61,77)(H,62,75)(H,63,76)(H,64,73)(H,69,70)(H4,51,52,55)(H4,53,54,56)/t28-,29-,30+,31-,32-,33-,34-,35+/m0/s1
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n/an/a 440n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030041
PNG
(Ac-C-N-P-R-G-D-(Y-OEt)-R-C-NH2 | CHEMBL2371506)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C46H71N17O14S2/c1-3-77-25-12-10-24(11-13-25)17-28-40(72)58-27(8-5-15-54-46(51)52)39(71)62-31(37(48)69)21-78-79-22-32(56-23(2)64)42(74)61-30(18-34(47)65)44(76)63-16-6-9-33(63)43(75)59-26(7-4-14-53-45(49)50)38(70)55-20-35(66)57-29(19-36(67)68)41(73)60-28/h10-13,26-33H,3-9,14-22H2,1-2H3,(H2,47,65)(H2,48,69)(H,55,70)(H,56,64)(H,57,66)(H,58,72)(H,59,75)(H,60,73)(H,61,74)(H,62,71)(H,67,68)(H4,49,50,53)(H4,51,52,54)/t26-,27-,28+,29-,30-,31-,32-,33+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030066
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-O-C-NH2 | CHEMBL2371530)
Show SMILES CCCCOc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C48H75N17O14S2/c1-3-4-18-79-27-13-11-26(12-14-27)19-30-42(74)60-29(9-6-16-56-48(53)54)41(73)64-33(39(50)71)23-80-81-24-34(58-25(2)66)44(76)63-32(20-36(49)67)46(78)65-17-7-10-35(65)45(77)61-28(8-5-15-55-47(51)52)40(72)57-22-37(68)59-31(21-38(69)70)43(75)62-30/h11-14,28-35H,3-10,15-24H2,1-2H3,(H2,49,67)(H2,50,71)(H,57,72)(H,58,66)(H,59,68)(H,60,74)(H,61,77)(H,62,75)(H,63,76)(H,64,73)(H,69,70)(H4,51,52,55)(H4,53,54,56)/t28-,29-,30+,31-,32-,33-,34-,35+/m0/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030031
PNG
(Ac-(Pmc)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371523)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C50H77N17O14S2/c1-26(68)60-39-46(79)65-33(22-36(51)69)47(80)67-20-8-11-35(67)45(78)63-29(9-6-18-57-48(53)54)41(74)59-24-37(70)61-32(23-38(71)72)44(77)64-31(21-27-12-14-28(81-2)15-13-27)43(76)62-30(10-7-19-58-49(55)56)42(75)66-34(40(52)73)25-82-83-50(39)16-4-3-5-17-50/h12-15,29-35,39H,3-11,16-25H2,1-2H3,(H2,51,69)(H2,52,73)(H,59,74)(H,60,68)(H,61,70)(H,62,76)(H,63,78)(H,64,77)(H,65,79)(H,66,75)(H,71,72)(H4,53,54,57)(H4,55,56,58)/t29-,30-,31+,32-,33-,34-,35+,39+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030041
PNG
(Ac-C-N-P-R-G-D-(Y-OEt)-R-C-NH2 | CHEMBL2371506)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C46H71N17O14S2/c1-3-77-25-12-10-24(11-13-25)17-28-40(72)58-27(8-5-15-54-46(51)52)39(71)62-31(37(48)69)21-78-79-22-32(56-23(2)64)42(74)61-30(18-34(47)65)44(76)63-16-6-9-33(63)43(75)59-26(7-4-14-53-45(49)50)38(70)55-20-35(66)57-29(19-36(67)68)41(73)60-28/h10-13,26-33H,3-9,14-22H2,1-2H3,(H2,47,65)(H2,48,69)(H,55,70)(H,56,64)(H,57,66)(H,58,72)(H,59,75)(H,60,73)(H,61,74)(H,62,71)(H,67,68)(H4,49,50,53)(H4,51,52,54)/t26-,27-,28+,29-,30-,31-,32-,33+/m0/s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030071
PNG
(Ac-C-N-P-R-G-D-(Y-O-n-butyl)-R-C-NH2 | CHEMBL23715...)
Show SMILES CCCCOc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(OC)cc3)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C52H74N14O15S2/c1-4-5-20-81-32-16-12-30(13-17-32)22-35-47(75)65-38(44(54)72)26-82-83-27-39(59-28(2)67)49(77)64-37(23-41(53)68)51(79)66-19-7-9-40(66)50(78)61-33(8-6-18-57-52(55)56)45(73)58-25-42(69)60-36(24-43(70)71)48(76)63-34(46(74)62-35)21-29-10-14-31(80-3)15-11-29/h10-17,33-40H,4-9,18-27H2,1-3H3,(H2,53,68)(H2,54,72)(H,58,73)(H,59,67)(H,60,69)(H,61,78)(H,62,74)(H,63,76)(H,64,77)(H,65,75)(H,70,71)(H4,55,56,57)/t33-,34+,35+,36-,37-,38+,39+,40+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030071
PNG
(Ac-C-N-P-R-G-D-(Y-O-n-butyl)-R-C-NH2 | CHEMBL23715...)
Show SMILES CCCCOc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(OC)cc3)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C52H74N14O15S2/c1-4-5-20-81-32-16-12-30(13-17-32)22-35-47(75)65-38(44(54)72)26-82-83-27-39(59-28(2)67)49(77)64-37(23-41(53)68)51(79)66-19-7-9-40(66)50(78)61-33(8-6-18-57-52(55)56)45(73)58-25-42(69)60-36(24-43(70)71)48(76)63-34(46(74)62-35)21-29-10-14-31(80-3)15-11-29/h10-17,33-40H,4-9,18-27H2,1-3H3,(H2,53,68)(H2,54,72)(H,58,73)(H,59,67)(H,60,69)(H,61,78)(H,62,74)(H,63,76)(H,64,77)(H,65,75)(H,70,71)(H4,55,56,57)/t33-,34+,35+,36-,37-,38+,39+,40+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030040
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-E-C-NH2 | CHEMBL2371521)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C44H64N14O16S2/c1-21(59)51-30-20-76-75-19-29(36(46)66)57-38(68)25(11-12-34(62)63)53-39(69)26(15-22-7-9-23(74-2)10-8-22)55-40(70)27(17-35(64)65)52-33(61)18-50-37(67)24(5-3-13-49-44(47)48)54-42(72)31-6-4-14-58(31)43(73)28(16-32(45)60)56-41(30)71/h7-10,24-31H,3-6,11-20H2,1-2H3,(H2,45,60)(H2,46,66)(H,50,67)(H,51,59)(H,52,61)(H,53,69)(H,54,72)(H,55,70)(H,56,71)(H,57,68)(H,62,63)(H,64,65)(H4,47,48,49)/t24-,25+,26+,27-,28-,29-,30-,31+/m1/s1
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n/an/a 6.24E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030065
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-Cit-C-NH2 | CHEMBL2371503)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H68N16O15S2/c1-22(62)54-31-21-78-77-20-30(36(47)67)60-38(69)26(7-4-14-52-45(50)75)56-39(70)27(16-23-9-11-24(76-2)12-10-23)58-40(71)28(18-35(65)66)55-34(64)19-53-37(68)25(6-3-13-51-44(48)49)57-42(73)32-8-5-15-61(32)43(74)29(17-33(46)63)59-41(31)72/h9-12,25-32H,3-8,13-21H2,1-2H3,(H2,46,63)(H2,47,67)(H,53,68)(H,54,62)(H,55,64)(H,56,70)(H,57,73)(H,58,71)(H,59,72)(H,60,69)(H,65,66)(H4,48,49,51)(H3,50,52,75)/t25-,26+,27+,28-,29-,30+,31+,32+/m1/s1
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n/an/a 3.46E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030040
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-E-C-NH2 | CHEMBL2371521)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C44H64N14O16S2/c1-21(59)51-30-20-76-75-19-29(36(46)66)57-38(68)25(11-12-34(62)63)53-39(69)26(15-22-7-9-23(74-2)10-8-22)55-40(70)27(17-35(64)65)52-33(61)18-50-37(67)24(5-3-13-49-44(47)48)54-42(72)31-6-4-14-58(31)43(73)28(16-32(45)60)56-41(30)71/h7-10,24-31H,3-6,11-20H2,1-2H3,(H2,45,60)(H2,46,66)(H,50,67)(H,51,59)(H,52,61)(H,53,69)(H,54,72)(H,55,70)(H,56,71)(H,57,68)(H,62,63)(H,64,65)(H4,47,48,49)/t24-,25+,26+,27-,28-,29-,30-,31+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030072
PNG
((Pmp)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371512)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)CC3(CCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C47H72N16O13S2/c1-76-26-12-10-25(11-13-26)19-29-41(72)59-28(8-5-17-55-46(52)53)40(71)62-32(38(49)69)24-77-78-47(14-2-3-15-47)22-35(65)58-31(20-34(48)64)44(75)63-18-6-9-33(63)43(74)60-27(7-4-16-54-45(50)51)39(70)56-23-36(66)57-30(21-37(67)68)42(73)61-29/h10-13,27-33H,2-9,14-24H2,1H3,(H2,48,64)(H2,49,69)(H,56,70)(H,57,66)(H,58,65)(H,59,72)(H,60,74)(H,61,73)(H,62,71)(H,67,68)(H4,50,51,54)(H4,52,53,55)/t27-,28-,29+,30-,31-,32-,33+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030040
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-E-C-NH2 | CHEMBL2371521)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C44H64N14O16S2/c1-21(59)51-30-20-76-75-19-29(36(46)66)57-38(68)25(11-12-34(62)63)53-39(69)26(15-22-7-9-23(74-2)10-8-22)55-40(70)27(17-35(64)65)52-33(61)18-50-37(67)24(5-3-13-49-44(47)48)54-42(72)31-6-4-14-58(31)43(73)28(16-32(45)60)56-41(30)71/h7-10,24-31H,3-6,11-20H2,1-2H3,(H2,45,60)(H2,46,66)(H,50,67)(H,51,59)(H,52,61)(H,53,69)(H,54,72)(H,55,70)(H,56,71)(H,57,68)(H,62,63)(H,64,65)(H4,47,48,49)/t24-,25+,26+,27-,28-,29-,30-,31+/m1/s1
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n/an/a 9.47E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030072
PNG
((Pmp)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371512)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)CC3(CCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C47H72N16O13S2/c1-76-26-12-10-25(11-13-26)19-29-41(72)59-28(8-5-17-55-46(52)53)40(71)62-32(38(49)69)24-77-78-47(14-2-3-15-47)22-35(65)58-31(20-34(48)64)44(75)63-18-6-9-33(63)43(74)60-27(7-4-16-54-45(50)51)39(70)56-23-36(66)57-30(21-37(67)68)42(73)61-29/h10-13,27-33H,2-9,14-24H2,1H3,(H2,48,64)(H2,49,69)(H,56,70)(H,57,66)(H,58,65)(H,59,72)(H,60,74)(H,61,73)(H,62,71)(H,67,68)(H4,50,51,54)(H4,52,53,55)/t27-,28-,29+,30-,31-,32-,33+/m0/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030066
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-O-C-NH2 | CHEMBL2371530)
Show SMILES CCCCOc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C48H75N17O14S2/c1-3-4-18-79-27-13-11-26(12-14-27)19-30-42(74)60-29(9-6-16-56-48(53)54)41(73)64-33(39(50)71)23-80-81-24-34(58-25(2)66)44(76)63-32(20-36(49)67)46(78)65-17-7-10-35(65)45(77)61-28(8-5-15-55-47(51)52)40(72)57-22-37(68)59-31(21-38(69)70)43(75)62-30/h11-14,28-35H,3-10,15-24H2,1-2H3,(H2,49,67)(H2,50,71)(H,57,72)(H,58,66)(H,59,68)(H,60,74)(H,61,77)(H,62,75)(H,63,76)(H,64,73)(H,69,70)(H4,51,52,55)(H4,53,54,56)/t28-,29-,30+,31-,32-,33-,34-,35+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030061
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-(DR)-C-NH2 | CHEMBL2371520)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C42H62N14O14S2/c1-20-35(63)55-28(34(44)62)18-71-72-19-29(50-21(2)57)39(67)54-27(15-31(43)58)41(69)56-13-5-7-30(56)40(68)52-24(6-4-12-47-42(45)46)36(64)48-17-32(59)51-26(16-33(60)61)38(66)53-25(37(65)49-20)14-22-8-10-23(70-3)11-9-22/h8-11,20,24-30H,4-7,12-19H2,1-3H3,(H2,43,58)(H2,44,62)(H,48,64)(H,49,65)(H,50,57)(H,51,59)(H,52,68)(H,53,66)(H,54,67)(H,55,63)(H,60,61)(H4,45,46,47)/t20-,24+,25-,26+,27+,28-,29-,30-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030061
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-(DR)-C-NH2 | CHEMBL2371520)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C42H62N14O14S2/c1-20-35(63)55-28(34(44)62)18-71-72-19-29(50-21(2)57)39(67)54-27(15-31(43)58)41(69)56-13-5-7-30(56)40(68)52-24(6-4-12-47-42(45)46)36(64)48-17-32(59)51-26(16-33(60)61)38(66)53-25(37(65)49-20)14-22-8-10-23(70-3)11-9-22/h8-11,20,24-30H,4-7,12-19H2,1-3H3,(H2,43,58)(H2,44,62)(H,48,64)(H,49,65)(H,50,57)(H,51,59)(H,52,68)(H,53,66)(H,54,67)(H,55,63)(H,60,61)(H4,45,46,47)/t20-,24+,25-,26+,27+,28-,29-,30-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50030031
PNG
(Ac-(Pmc)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371523)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C50H77N17O14S2/c1-26(68)60-39-46(79)65-33(22-36(51)69)47(80)67-20-8-11-35(67)45(78)63-29(9-6-18-57-48(53)54)41(74)59-24-37(70)61-32(23-38(71)72)44(77)64-31(21-27-12-14-28(81-2)15-13-27)43(76)62-30(10-7-19-58-49(55)56)42(75)66-34(40(52)73)25-82-83-50(39)16-4-3-5-17-50/h12-15,29-35,39H,3-11,16-25H2,1-2H3,(H2,51,69)(H2,52,73)(H,59,74)(H,60,68)(H,61,70)(H,62,76)(H,63,78)(H,64,77)(H,65,79)(H,66,75)(H,71,72)(H4,53,54,57)(H4,55,56,58)/t29-,30-,31+,32-,33-,34-,35+,39+/m0/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50030065
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-Cit-C-NH2 | CHEMBL2371503)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H68N16O15S2/c1-22(62)54-31-21-78-77-20-30(36(47)67)60-38(69)26(7-4-14-52-45(50)75)56-39(70)27(16-23-9-11-24(76-2)12-10-23)58-40(71)28(18-35(65)66)55-34(64)19-53-37(68)25(6-3-13-51-44(48)49)57-42(73)32-8-5-15-61(32)43(74)29(17-33(46)63)59-41(31)72/h9-12,25-32H,3-8,13-21H2,1-2H3,(H2,46,63)(H2,47,67)(H,53,68)(H,54,62)(H,55,64)(H,56,70)(H,57,73)(H,58,71)(H,59,72)(H,60,69)(H,65,66)(H4,48,49,51)(H3,50,52,75)/t25-,26+,27+,28-,29-,30+,31+,32+/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
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