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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'constantine' and Initial = 'kl'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50192462
PNG
((S)-2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-hydroxy...)
Show SMILES O[C@H](C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H18Cl2O5/c23-17-9-3-1-6-14(17)12-28-19-11-5-8-16(20(25)22(26)27)21(19)29-13-15-7-2-4-10-18(15)24/h1-11,20,25H,12-13H2,(H,26,27)/t20-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ap2


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50192463
PNG
(2-(2,3-bis(2-chlorobenzyloxy)phenyl)acetic acid | ...)
Show SMILES OC(=O)Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H18Cl2O4/c23-18-9-3-1-6-16(18)13-27-20-11-5-8-15(12-21(25)26)22(20)28-14-17-7-2-4-10-19(17)24/h1-11H,12-14H2,(H,25,26)
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human kFABP


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50192465
PNG
(2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-methoxyacet...)
Show SMILES COC(C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C23H20Cl2O5/c1-28-22(23(26)27)17-9-6-12-20(29-13-15-7-2-4-10-18(15)24)21(17)30-14-16-8-3-5-11-19(16)25/h2-12,22H,13-14H2,1H3,(H,26,27)
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human kFABP


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50192463
PNG
(2-(2,3-bis(2-chlorobenzyloxy)phenyl)acetic acid | ...)
Show SMILES OC(=O)Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H18Cl2O4/c23-18-9-3-1-6-16(18)13-27-20-11-5-8-15(12-21(25)26)22(20)28-14-17-7-2-4-10-19(17)24/h1-11H,12-14H2,(H,25,26)
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ap2


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50192462
PNG
((S)-2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-hydroxy...)
Show SMILES O[C@H](C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H18Cl2O5/c23-17-9-3-1-6-14(17)12-28-19-11-5-8-16(20(25)22(26)27)21(19)29-13-15-7-2-4-10-18(15)24/h1-11,20,25H,12-13H2,(H,26,27)/t20-/m0/s1
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33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human kFABP


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50192465
PNG
(2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-methoxyacet...)
Show SMILES COC(C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C23H20Cl2O5/c1-28-22(23(26)27)17-9-6-12-20(29-13-15-7-2-4-10-18(15)24)21(17)30-14-16-8-3-5-11-19(16)25/h2-12,22H,13-14H2,1H3,(H,26,27)
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50n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ap2


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50192464
PNG
(1-(2,3-bis(2-chlorobenzyloxy)phenyl)ethane-1,2-dio...)
Show SMILES OCC(O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2O4/c23-18-9-3-1-6-15(18)13-27-21-11-5-8-17(20(26)12-25)22(21)28-14-16-7-2-4-10-19(16)24/h1-11,20,25-26H,12-14H2
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human kFABP


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50192464
PNG
(1-(2,3-bis(2-chlorobenzyloxy)phenyl)ethane-1,2-dio...)
Show SMILES OCC(O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2O4/c23-18-9-3-1-6-15(18)13-27-21-11-5-8-17(20(26)12-25)22(21)28-14-16-7-2-4-10-19(16)24/h1-11,20,25-26H,12-14H2
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ap2


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30185
PNG
(CHEMBL226403 | Pyrrolopyridine, 16)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
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n/an/a 8.5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2 expressed in Escherichia coli BL21(DE3) after 60 mins


J Med Chem 51: 6225-9 (2008)


Article DOI: 10.1021/jm800747w
BindingDB Entry DOI: 10.7270/Q2JM29GJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50253633
PNG
(2-(2-styrylpyridin-4-yl)-6,7-dihydro-1H-pyrrolo[3,...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(\C=C\c2ccccc2)c1
Show InChI InChI=1S/C20H17N3O/c24-20-17-13-19(23-18(17)9-11-22-20)15-8-10-21-16(12-15)7-6-14-4-2-1-3-5-14/h1-8,10,12-13,23H,9,11H2,(H,22,24)/b7-6+
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n/an/a 49n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2 expressed in Escherichia coli BL21(DE3) after 60 mins


J Med Chem 51: 6225-9 (2008)


Article DOI: 10.1021/jm800747w
BindingDB Entry DOI: 10.7270/Q2JM29GJ
More data for this
Ligand-Target Pair
Gastric inhibitory polypeptide receptor


(Homo sapiens (Human))
BDBM50301952
PNG
((3S,6S,9S,12S,15S,21S)-21-(2-((S)-2-amino-3-(1H-im...)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C76H95FN14O19/c1-9-45-32-50(110-8)26-27-52(45)47-24-20-44(21-25-47)31-57(68(103)83-56(65(79)100)30-43-18-22-46(23-19-43)51-16-12-10-14-40(51)2)84-69(104)58(34-62(98)99)85-70(105)59(38-92)86-71(106)63(41(3)93)89-74(109)76(7,35-48-15-11-13-17-53(48)77)91-72(107)64(42(4)94)88-60(95)37-81-67(102)55(28-29-61(96)97)87-73(108)75(5,6)90-66(101)54(78)33-49-36-80-39-82-49/h10-27,32,36,39,41-42,54-59,63-64,92-94H,9,28-31,33-35,37-38,78H2,1-8H3,(H2,79,100)(H,80,82)(H,81,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,108)(H,88,95)(H,89,109)(H,90,101)(H,91,107)(H,96,97)(H,98,99)/t41-,42-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at GIPR


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Parathyroid hormone/parathyroid hormone-related peptide receptor


(Homo sapiens (Human))
BDBM50301952
PNG
((3S,6S,9S,12S,15S,21S)-21-(2-((S)-2-amino-3-(1H-im...)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C76H95FN14O19/c1-9-45-32-50(110-8)26-27-52(45)47-24-20-44(21-25-47)31-57(68(103)83-56(65(79)100)30-43-18-22-46(23-19-43)51-16-12-10-14-40(51)2)84-69(104)58(34-62(98)99)85-70(105)59(38-92)86-71(106)63(41(3)93)89-74(109)76(7,35-48-15-11-13-17-53(48)77)91-72(107)64(42(4)94)88-60(95)37-81-67(102)55(28-29-61(96)97)87-73(108)75(5,6)90-66(101)54(78)33-49-36-80-39-82-49/h10-27,32,36,39,41-42,54-59,63-64,92-94H,9,28-31,33-35,37-38,78H2,1-8H3,(H2,79,100)(H,80,82)(H,81,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,108)(H,88,95)(H,89,109)(H,90,101)(H,91,107)(H,96,97)(H,98,99)/t41-,42-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at PTHR


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Gastric inhibitory polypeptide receptor


(Homo sapiens (Human))
BDBM50301952
PNG
((3S,6S,9S,12S,15S,21S)-21-(2-((S)-2-amino-3-(1H-im...)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C76H95FN14O19/c1-9-45-32-50(110-8)26-27-52(45)47-24-20-44(21-25-47)31-57(68(103)83-56(65(79)100)30-43-18-22-46(23-19-43)51-16-12-10-14-40(51)2)84-69(104)58(34-62(98)99)85-70(105)59(38-92)86-71(106)63(41(3)93)89-74(109)76(7,35-48-15-11-13-17-53(48)77)91-72(107)64(42(4)94)88-60(95)37-81-67(102)55(28-29-61(96)97)87-73(108)75(5,6)90-66(101)54(78)33-49-36-80-39-82-49/h10-27,32,36,39,41-42,54-59,63-64,92-94H,9,28-31,33-35,37-38,78H2,1-8H3,(H2,79,100)(H,80,82)(H,81,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,108)(H,88,95)(H,89,109)(H,90,101)(H,91,107)(H,96,97)(H,98,99)/t41-,42-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at GIPR


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50301952
PNG
((3S,6S,9S,12S,15S,21S)-21-(2-((S)-2-amino-3-(1H-im...)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C76H95FN14O19/c1-9-45-32-50(110-8)26-27-52(45)47-24-20-44(21-25-47)31-57(68(103)83-56(65(79)100)30-43-18-22-46(23-19-43)51-16-12-10-14-40(51)2)84-69(104)58(34-62(98)99)85-70(105)59(38-92)86-71(106)63(41(3)93)89-74(109)76(7,35-48-15-11-13-17-53(48)77)91-72(107)64(42(4)94)88-60(95)37-81-67(102)55(28-29-61(96)97)87-73(108)75(5,6)90-66(101)54(78)33-49-36-80-39-82-49/h10-27,32,36,39,41-42,54-59,63-64,92-94H,9,28-31,33-35,37-38,78H2,1-8H3,(H2,79,100)(H,80,82)(H,81,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,108)(H,88,95)(H,89,109)(H,90,101)(H,91,107)(H,96,97)(H,98,99)/t41-,42-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at glucagon receptor


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Parathyroid hormone/parathyroid hormone-related peptide receptor


(Homo sapiens (Human))
BDBM50301952
PNG
((3S,6S,9S,12S,15S,21S)-21-(2-((S)-2-amino-3-(1H-im...)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C76H95FN14O19/c1-9-45-32-50(110-8)26-27-52(45)47-24-20-44(21-25-47)31-57(68(103)83-56(65(79)100)30-43-18-22-46(23-19-43)51-16-12-10-14-40(51)2)84-69(104)58(34-62(98)99)85-70(105)59(38-92)86-71(106)63(41(3)93)89-74(109)76(7,35-48-15-11-13-17-53(48)77)91-72(107)64(42(4)94)88-60(95)37-81-67(102)55(28-29-61(96)97)87-73(108)75(5,6)90-66(101)54(78)33-49-36-80-39-82-49/h10-27,32,36,39,41-42,54-59,63-64,92-94H,9,28-31,33-35,37-38,78H2,1-8H3,(H2,79,100)(H,80,82)(H,81,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,108)(H,88,95)(H,89,109)(H,90,101)(H,91,107)(H,96,97)(H,98,99)/t41-,42-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at PTHR


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
N-acylneuraminate-9-phosphatase


(Homo sapiens (Human))
BDBM50436923
PNG
(CHEMBL2402022)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C12H22NO11P/c1-5(14)13-8-7(16)4-12(20,11(18)19)24-10(8)9(17)6(15)2-3-25(21,22)23/h6-10,15-17,20H,2-4H2,1H3,(H,13,14)(H,18,19)(H2,21,22,23)/t6-,7+,8-,9-,10-,12+/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant HDHD4 (unknown origin) using Neu5Ac-9-P as substrate assessed as release of phosphate after 30 mins by maiachite...


Bioorg Med Chem Lett 23: 4107-11 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.052
BindingDB Entry DOI: 10.7270/Q2TB1897
More data for this
Ligand-Target Pair
N-acylneuraminate-9-phosphatase


(Homo sapiens (Human))
BDBM50436926
PNG
(CHEMBL2402114)
Show SMILES CO[C@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C13H24NO11P/c1-6(15)14-9-8(17)5-13(24-2,12(19)20)25-11(9)10(18)7(16)3-4-26(21,22)23/h7-11,16-18H,3-5H2,1-2H3,(H,14,15)(H,19,20)(H2,21,22,23)/t7-,8+,9-,10-,11-,13+/m1/s1
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n/an/a 4.98E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDHD4 (unknown origin) using Neu5Ac-9-P as substrate assessed as release of phosphate after 30 mins by maiachite green assa...


Bioorg Med Chem Lett 23: 4107-11 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.052
BindingDB Entry DOI: 10.7270/Q2TB1897
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50240538
PNG
(CHEMBL57481 | Isoquinolin-5-ol)
Show SMILES Oc1cccc2cnccc12
Show InChI InChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H
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n/an/a 8.50E+4n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2 expressed in Escherichia coli BL21(DE3) after 60 mins


J Med Chem 51: 6225-9 (2008)


Article DOI: 10.1021/jm800747w
BindingDB Entry DOI: 10.7270/Q2JM29GJ
More data for this
Ligand-Target Pair
N-acylneuraminate-9-phosphatase


(Homo sapiens (Human))
BDBM50436925
PNG
(CHEMBL3037907)
Show SMILES COC(=O)[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CCP(O)(O)=O)OC |r|
Show InChI InChI=1S/C14H26NO11P/c1-7(16)15-10-9(18)6-14(25-3,13(20)24-2)26-12(10)11(19)8(17)4-5-27(21,22)23/h8-12,17-19H,4-6H2,1-3H3,(H,15,16)(H2,21,22,23)/t8-,9+,10-,11-,12-,14+/m1/s1
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n/an/a 9.37E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDHD4 (unknown origin) using Neu5Ac-9-P as substrate assessed as release of phosphate after 30 mins by maiachite green assa...


Bioorg Med Chem Lett 23: 4107-11 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.052
BindingDB Entry DOI: 10.7270/Q2TB1897
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM23450
PNG
(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
Show SMILES Oc1cccc2ccccc12
Show InChI InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2 expressed in Escherichia coli BL21(DE3) after 60 mins


J Med Chem 51: 6225-9 (2008)


Article DOI: 10.1021/jm800747w
BindingDB Entry DOI: 10.7270/Q2JM29GJ
More data for this
Ligand-Target Pair
N-acylneuraminate-9-phosphatase


(Homo sapiens (Human))
BDBM50436924
PNG
(CHEMBL2402116)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)4-13(23,12(21)22)24-11(9)10(20)6(16)2-3-8(18)19/h6-7,9-11,16-17,20,23H,2-4H2,1H3,(H,14,15)(H,18,19)(H,21,22)/t6-,7+,9-,10-,11-,13+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDHD4 (unknown origin) using Neu5Ac-9-P as substrate assessed as release of phosphate after 30 mins by maiachite green assa...


Bioorg Med Chem Lett 23: 4107-11 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.052
BindingDB Entry DOI: 10.7270/Q2TB1897
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301936
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(C)c1)C(N)=O |r|
Show InChI InChI=1S/C71H86N14O18/c1-38-12-11-17-48(28-38)47-24-20-43(21-25-47)29-52(62(73)94)79-66(98)53(31-44-18-22-46(23-19-44)45-15-9-6-10-16-45)80-67(99)55(33-59(92)93)81-69(101)56(36-86)83-71(103)61(41(4)88)85-68(100)54(30-42-13-7-5-8-14-42)82-70(102)60(40(3)87)84-57(89)35-75-65(97)51(26-27-58(90)91)78-63(95)39(2)77-64(96)50(72)32-49-34-74-37-76-49/h5-25,28,34,37,39-41,50-56,60-61,86-88H,26-27,29-33,35-36,72H2,1-4H3,(H2,73,94)(H,74,76)(H,75,97)(H,77,96)(H,78,95)(H,79,98)(H,80,99)(H,81,101)(H,82,102)(H,83,103)(H,84,89)(H,85,100)(H,90,91)(H,92,93)/t39-,40+,41+,50-,51-,52-,53-,54-,55-,56-,60-,61-/m0/s1
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n/an/an/an/a 215n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301937
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES COc1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(N)=O)cc1 |r|
Show InChI InChI=1S/C71H86N14O19/c1-38(77-64(96)50(72)32-48-34-74-37-76-48)63(95)78-51(27-28-58(90)91)65(97)75-35-57(89)84-60(39(2)87)70(102)82-54(30-41-11-7-5-8-12-41)68(100)85-61(40(3)88)71(103)83-56(36-86)69(101)81-55(33-59(92)93)67(99)80-53(31-43-17-19-45(20-18-43)44-13-9-6-10-14-44)66(98)79-52(62(73)94)29-42-15-21-46(22-16-42)47-23-25-49(104-4)26-24-47/h5-26,34,37-40,50-56,60-61,86-88H,27-33,35-36,72H2,1-4H3,(H2,73,94)(H,74,76)(H,75,97)(H,77,96)(H,78,95)(H,79,98)(H,80,99)(H,81,101)(H,82,102)(H,83,103)(H,84,89)(H,85,100)(H,90,91)(H,92,93)/t38-,39+,40+,50-,51-,52-,53-,54-,55-,56-,60-,61-/m0/s1
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n/an/an/an/a 390n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301938
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(C)cc1)C(N)=O |r|
Show InChI InChI=1S/C71H86N14O18/c1-38-15-21-46(22-16-38)48-25-17-43(18-26-48)29-52(62(73)94)79-66(98)53(31-44-19-23-47(24-20-44)45-13-9-6-10-14-45)80-67(99)55(33-59(92)93)81-69(101)56(36-86)83-71(103)61(41(4)88)85-68(100)54(30-42-11-7-5-8-12-42)82-70(102)60(40(3)87)84-57(89)35-75-65(97)51(27-28-58(90)91)78-63(95)39(2)77-64(96)50(72)32-49-34-74-37-76-49/h5-26,34,37,39-41,50-56,60-61,86-88H,27-33,35-36,72H2,1-4H3,(H2,73,94)(H,74,76)(H,75,97)(H,77,96)(H,78,95)(H,79,98)(H,80,99)(H,81,101)(H,82,102)(H,83,103)(H,84,89)(H,85,100)(H,90,91)(H,92,93)/t39-,40+,41+,50-,51-,52-,53-,54-,55-,56-,60-,61-/m0/s1
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n/an/an/an/a 270n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301939
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)C(N)=O |r|
Show InChI InChI=1S/C70H83FN14O18/c1-37(77-63(96)49(72)31-48-33-74-36-76-48)62(95)78-50(26-27-57(90)91)64(97)75-34-56(89)84-59(38(2)87)69(102)82-53(29-40-10-6-4-7-11-40)67(100)85-60(39(3)88)70(103)83-55(35-86)68(101)81-54(32-58(92)93)66(99)80-52(30-42-16-18-44(19-17-42)43-12-8-5-9-13-43)65(98)79-51(61(73)94)28-41-14-20-45(21-15-41)46-22-24-47(71)25-23-46/h4-25,33,36-39,49-55,59-60,86-88H,26-32,34-35,72H2,1-3H3,(H2,73,94)(H,74,76)(H,75,97)(H,77,96)(H,78,95)(H,79,98)(H,80,99)(H,81,101)(H,82,102)(H,83,103)(H,84,89)(H,85,100)(H,90,91)(H,92,93)/t37-,38+,39+,49-,50-,51-,52-,53-,54-,55-,59-,60-/m0/s1
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n/an/an/an/a 430n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301940
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1C)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1C)C(N)=O |r|
Show InChI InChI=1S/C72H88N14O18/c1-38-13-9-11-17-49(38)46-23-19-44(20-24-46)29-53(63(74)95)80-67(99)54(31-45-21-25-47(26-22-45)50-18-12-10-14-39(50)2)81-68(100)56(33-60(93)94)82-70(102)57(36-87)84-72(104)62(42(5)89)86-69(101)55(30-43-15-7-6-8-16-43)83-71(103)61(41(4)88)85-58(90)35-76-66(98)52(27-28-59(91)92)79-64(96)40(3)78-65(97)51(73)32-48-34-75-37-77-48/h6-26,34,37,40-42,51-57,61-62,87-89H,27-33,35-36,73H2,1-5H3,(H2,74,95)(H,75,77)(H,76,98)(H,78,97)(H,79,96)(H,80,99)(H,81,100)(H,82,102)(H,83,103)(H,84,104)(H,85,90)(H,86,101)(H,91,92)(H,93,94)/t40-,41+,42+,51-,52-,53-,54-,55-,56-,57-,61-,62-/m0/s1
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n/an/an/an/a 148n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301941
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1C)C(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(C)c1)C(N)=O |r|
Show InChI InChI=1S/C72H88N14O18/c1-38-12-11-16-48(28-38)46-22-18-44(19-23-46)29-53(63(74)95)80-67(99)54(31-45-20-24-47(25-21-45)50-17-10-9-13-39(50)2)81-68(100)56(33-60(93)94)82-70(102)57(36-87)84-72(104)62(42(5)89)86-69(101)55(30-43-14-7-6-8-15-43)83-71(103)61(41(4)88)85-58(90)35-76-66(98)52(26-27-59(91)92)79-64(96)40(3)78-65(97)51(73)32-49-34-75-37-77-49/h6-25,28,34,37,40-42,51-57,61-62,87-89H,26-27,29-33,35-36,73H2,1-5H3,(H2,74,95)(H,75,77)(H,76,98)(H,78,97)(H,79,96)(H,80,99)(H,81,100)(H,82,102)(H,83,103)(H,84,104)(H,85,90)(H,86,101)(H,91,92)(H,93,94)/t40-,41+,42+,51-,52-,53-,54-,55-,56-,57-,61-,62-/m0/s1
PDB

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n/an/an/an/a 87n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301942
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1C)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(C)cc1)C(N)=O |r|
Show InChI InChI=1S/C72H88N14O18/c1-38-15-21-46(22-16-38)47-23-17-44(18-24-47)29-53(63(74)95)80-67(99)54(31-45-19-25-48(26-20-45)50-14-10-9-11-39(50)2)81-68(100)56(33-60(93)94)82-70(102)57(36-87)84-72(104)62(42(5)89)86-69(101)55(30-43-12-7-6-8-13-43)83-71(103)61(41(4)88)85-58(90)35-76-66(98)52(27-28-59(91)92)79-64(96)40(3)78-65(97)51(73)32-49-34-75-37-77-49/h6-26,34,37,40-42,51-57,61-62,87-89H,27-33,35-36,73H2,1-5H3,(H2,74,95)(H,75,77)(H,76,98)(H,78,97)(H,79,96)(H,80,99)(H,81,100)(H,82,102)(H,83,103)(H,84,104)(H,85,90)(H,86,101)(H,91,92)(H,93,94)/t40-,41+,42+,51-,52-,53-,54-,55-,56-,57-,61-,62-/m0/s1
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n/an/an/an/a 95n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301943
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES CCc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(N)=O)cc1 |r|
Show InChI InChI=1S/C72H88N14O18/c1-5-45-16-12-13-19-50(45)48-26-22-44(23-27-48)32-54(67(99)80-53(63(74)95)30-43-20-24-47(25-21-43)46-17-10-7-11-18-46)81-68(100)56(34-60(93)94)82-70(102)57(37-87)84-72(104)62(41(4)89)86-69(101)55(31-42-14-8-6-9-15-42)83-71(103)61(40(3)88)85-58(90)36-76-66(98)52(28-29-59(91)92)79-64(96)39(2)78-65(97)51(73)33-49-35-75-38-77-49/h6-27,35,38-41,51-57,61-62,87-89H,5,28-34,36-37,73H2,1-4H3,(H2,74,95)(H,75,77)(H,76,98)(H,78,97)(H,79,96)(H,80,99)(H,81,100)(H,82,102)(H,83,103)(H,84,104)(H,85,90)(H,86,101)(H,91,92)(H,93,94)/t39-,40+,41+,51-,52-,53-,54-,55-,56-,57-,61-,62-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301944
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES CCc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C73H90N14O18/c1-6-46-17-11-13-19-51(46)48-26-22-45(23-27-48)32-55(68(100)81-54(64(75)96)30-44-20-24-47(25-21-44)50-18-12-10-14-39(50)2)82-69(101)57(34-61(94)95)83-71(103)58(37-88)85-73(105)63(42(5)90)87-70(102)56(31-43-15-8-7-9-16-43)84-72(104)62(41(4)89)86-59(91)36-77-67(99)53(28-29-60(92)93)80-65(97)40(3)79-66(98)52(74)33-49-35-76-38-78-49/h7-27,35,38,40-42,52-58,62-63,88-90H,6,28-34,36-37,74H2,1-5H3,(H2,75,96)(H,76,78)(H,77,99)(H,79,98)(H,80,97)(H,81,100)(H,82,101)(H,83,103)(H,84,104)(H,85,105)(H,86,91)(H,87,102)(H,92,93)(H,94,95)/t40-,41+,42+,52-,53-,54-,55-,56-,57-,58-,62-,63-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301945
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES CCCc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C74H92N14O18/c1-6-14-47-18-11-13-20-52(47)49-27-23-46(24-28-49)33-56(69(101)82-55(65(76)97)31-45-21-25-48(26-22-45)51-19-12-10-15-40(51)2)83-70(102)58(35-62(95)96)84-72(104)59(38-89)86-74(106)64(43(5)91)88-71(103)57(32-44-16-8-7-9-17-44)85-73(105)63(42(4)90)87-60(92)37-78-68(100)54(29-30-61(93)94)81-66(98)41(3)80-67(99)53(75)34-50-36-77-39-79-50/h7-13,15-28,36,39,41-43,53-59,63-64,89-91H,6,14,29-35,37-38,75H2,1-5H3,(H2,76,97)(H,77,79)(H,78,100)(H,80,99)(H,81,98)(H,82,101)(H,83,102)(H,84,104)(H,85,105)(H,86,106)(H,87,92)(H,88,103)(H,93,94)(H,95,96)/t41-,42+,43+,53-,54-,55-,56-,57-,58-,59-,63-,64-/m0/s1
PDB

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n/an/an/an/a 93n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301946
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES COc1ccc(c(C)c1)-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C73H90N14O19/c1-38-12-10-11-15-50(38)46-20-16-44(17-21-46)29-54(64(75)96)81-68(100)55(31-45-18-22-47(23-19-45)51-25-24-49(106-6)28-39(51)2)82-69(101)57(33-61(94)95)83-71(103)58(36-88)85-73(105)63(42(5)90)87-70(102)56(30-43-13-8-7-9-14-43)84-72(104)62(41(4)89)86-59(91)35-77-67(99)53(26-27-60(92)93)80-65(97)40(3)79-66(98)52(74)32-48-34-76-37-78-48/h7-25,28,34,37,40-42,52-58,62-63,88-90H,26-27,29-33,35-36,74H2,1-6H3,(H2,75,96)(H,76,78)(H,77,99)(H,79,98)(H,80,97)(H,81,100)(H,82,101)(H,83,103)(H,84,104)(H,85,105)(H,86,91)(H,87,102)(H,92,93)(H,94,95)/t40-,41+,42+,52-,53-,54-,55-,56-,57-,58-,62-,63-/m0/s1
PDB

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n/an/an/an/a 35n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301947
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES COc1cccc(c1)-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C72H88N14O19/c1-38-12-9-10-17-50(38)46-24-20-43(21-25-46)28-53(63(74)95)80-67(99)54(30-44-18-22-45(23-19-44)47-15-11-16-49(31-47)105-5)81-68(100)56(33-60(93)94)82-70(102)57(36-87)84-72(104)62(41(4)89)86-69(101)55(29-42-13-7-6-8-14-42)83-71(103)61(40(3)88)85-58(90)35-76-66(98)52(26-27-59(91)92)79-64(96)39(2)78-65(97)51(73)32-48-34-75-37-77-48/h6-25,31,34,37,39-41,51-57,61-62,87-89H,26-30,32-33,35-36,73H2,1-5H3,(H2,74,95)(H,75,77)(H,76,98)(H,78,97)(H,79,96)(H,80,99)(H,81,100)(H,82,102)(H,83,103)(H,84,104)(H,85,90)(H,86,101)(H,91,92)(H,93,94)/t39-,40+,41+,51-,52-,53-,54-,55-,56-,57-,61-,62-/m0/s1
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n/an/an/an/a 965n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301948
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C74H92N14O19/c1-7-46-32-50(107-6)25-26-52(46)48-23-19-45(20-24-48)31-56(69(101)82-55(65(76)97)29-44-17-21-47(22-18-44)51-16-12-11-13-39(51)2)83-70(102)58(34-62(95)96)84-72(104)59(37-89)86-74(106)64(42(5)91)88-71(103)57(30-43-14-9-8-10-15-43)85-73(105)63(41(4)90)87-60(92)36-78-68(100)54(27-28-61(93)94)81-66(98)40(3)80-67(99)53(75)33-49-35-77-38-79-49/h8-26,32,35,38,40-42,53-59,63-64,89-91H,7,27-31,33-34,36-37,75H2,1-6H3,(H2,76,97)(H,77,79)(H,78,100)(H,80,99)(H,81,98)(H,82,101)(H,83,102)(H,84,104)(H,85,105)(H,86,106)(H,87,92)(H,88,103)(H,93,94)(H,95,96)/t40-,41+,42+,53-,54-,55-,56-,57-,58-,59-,63-,64-/m0/s1
PDB

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n/an/an/an/a 7n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301949
PNG
(CHEMBL583264)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1S/C144H224N40O45/c1-18-72(10)113(140(226)162-76(14)121(207)170-98(56-82-59-154-86-37-26-25-36-84(82)86)130(216)171-95(53-69(4)5)131(217)180-111(70(6)7)138(224)169-88(38-27-29-49-145)123(209)155-61-104(192)163-87(117(149)203)40-31-51-153-144(150)151)182-132(218)96(54-80-32-21-19-22-33-80)172-128(214)93(44-48-109(199)200)168-127(213)89(39-28-30-50-146)165-119(205)74(12)159-118(204)73(11)161-126(212)92(41-45-103(148)191)164-105(193)62-156-125(211)91(43-47-108(197)198)167-129(215)94(52-68(2)3)174-142(228)115(78(16)189)184-137(223)102(66-187)176-136(222)101(65-186)177-139(225)112(71(8)9)181-134(220)99(58-110(201)202)173-135(221)100(64-185)178-143(229)116(79(17)190)183-133(219)97(55-81-34-23-20-24-35-81)175-141(227)114(77(15)188)179-106(194)63-157-124(210)90(42-46-107(195)196)166-120(206)75(13)160-122(208)85(147)57-83-60-152-67-158-83/h19-26,32-37,59-60,67-79,85,87-102,111-116,154,185-190H,18,27-31,38-58,61-66,145-147H2,1-17H3,(H2,148,191)(H2,149,203)(H,152,158)(H,155,209)(H,156,211)(H,157,210)(H,159,204)(H,160,208)(H,161,212)(H,162,226)(H,163,192)(H,164,193)(H,165,205)(H,166,206)(H,167,215)(H,168,213)(H,169,224)(H,170,207)(H,171,216)(H,172,214)(H,173,221)(H,174,228)(H,175,227)(H,176,222)(H,177,225)(H,178,229)(H,179,194)(H,180,217)(H,181,220)(H,182,218)(H,183,219)(H,184,223)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H4,150,151,153)/t72-,73-,74-,75-,76-,77+,78+,79+,85-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,111-,112-,113-,114-,115-,116-/m0/s1
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n/an/an/an/a 0.0340n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301950
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C75H94N14O19/c1-8-47-32-51(108-7)26-27-53(47)49-24-20-45(21-25-49)31-57(69(102)83-56(65(77)98)30-44-18-22-48(23-19-44)52-17-13-12-14-40(52)2)84-70(103)58(34-62(96)97)85-71(104)59(38-90)86-72(105)63(42(4)91)88-74(107)75(6,35-46-15-10-9-11-16-46)89-73(106)64(43(5)92)87-60(93)37-79-68(101)55(28-29-61(94)95)82-66(99)41(3)81-67(100)54(76)33-50-36-78-39-80-50/h9-27,32,36,39,41-43,54-59,63-64,90-92H,8,28-31,33-35,37-38,76H2,1-7H3,(H2,77,98)(H,78,80)(H,79,101)(H,81,100)(H,82,99)(H,83,102)(H,84,103)(H,85,104)(H,86,105)(H,87,93)(H,88,107)(H,89,106)(H,94,95)(H,96,97)/t41-,42+,43+,54-,55-,56-,57-,58-,59-,63-,64-,75-/m0/s1
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n/an/an/an/a 2.40n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301951
PNG
((3S,6S,9S,12S,15S,21S)-21-(2-((S)-2-amino-3-(1H-im...)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C76H96N14O19/c1-9-47-33-51(109-8)27-28-53(47)49-25-21-45(22-26-49)32-57(68(102)82-56(65(78)99)31-44-19-23-48(24-20-44)52-18-14-13-15-41(52)2)83-69(103)58(35-62(97)98)84-70(104)59(39-91)85-71(105)63(42(3)92)88-74(108)76(7,36-46-16-11-10-12-17-46)90-72(106)64(43(4)93)87-60(94)38-80-67(101)55(29-30-61(95)96)86-73(107)75(5,6)89-66(100)54(77)34-50-37-79-40-81-50/h10-28,33,37,40,42-43,54-59,63-64,91-93H,9,29-32,34-36,38-39,77H2,1-8H3,(H2,78,99)(H,79,81)(H,80,101)(H,82,102)(H,83,103)(H,84,104)(H,85,105)(H,86,107)(H,87,94)(H,88,108)(H,89,100)(H,90,106)(H,95,96)(H,97,98)/t42-,43-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1
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n/an/an/an/a 0.280n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301952
PNG
((3S,6S,9S,12S,15S,21S)-21-(2-((S)-2-amino-3-(1H-im...)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C76H95FN14O19/c1-9-45-32-50(110-8)26-27-52(45)47-24-20-44(21-25-47)31-57(68(103)83-56(65(79)100)30-43-18-22-46(23-19-43)51-16-12-10-14-40(51)2)84-69(104)58(34-62(98)99)85-70(105)59(38-92)86-71(106)63(41(3)93)89-74(109)76(7,35-48-15-11-13-17-53(48)77)91-72(107)64(42(4)94)88-60(95)37-81-67(102)55(28-29-61(96)97)87-73(108)75(5,6)90-66(101)54(78)33-49-36-80-39-82-49/h10-27,32,36,39,41-42,54-59,63-64,92-94H,9,28-31,33-35,37-38,78H2,1-8H3,(H2,79,100)(H,80,82)(H,81,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,108)(H,88,95)(H,89,109)(H,90,101)(H,91,107)(H,96,97)(H,98,99)/t41-,42-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1
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n/an/an/an/a 0.0870n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301953
PNG
((3S,6S,9S,12S,15S,21S)-21-(2-((S)-2-amino-3-(1H-im...)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2c(F)cccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C76H94F2N14O19/c1-9-44-31-48(111-8)25-26-50(44)46-23-19-43(20-24-46)30-57(68(104)84-56(65(80)101)29-42-17-21-45(22-18-42)49-14-11-10-13-39(49)2)85-69(105)58(33-62(99)100)86-70(106)59(37-93)87-71(107)63(40(3)94)90-74(110)76(7,34-51-52(77)15-12-16-53(51)78)92-72(108)64(41(4)95)89-60(96)36-82-67(103)55(27-28-61(97)98)88-73(109)75(5,6)91-66(102)54(79)32-47-35-81-38-83-47/h10-26,31,35,38,40-41,54-59,63-64,93-95H,9,27-30,32-34,36-37,79H2,1-8H3,(H2,80,101)(H,81,83)(H,82,103)(H,84,104)(H,85,105)(H,86,106)(H,87,107)(H,88,109)(H,89,96)(H,90,110)(H,91,102)(H,92,108)(H,97,98)(H,99,100)/t40-,41-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1
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n/an/an/an/a 0.0930n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301932
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C55H71N13O17/c1-28(61-49(79)36(56)22-35-24-58-27-60-35)48(78)62-37(18-19-43(73)74)50(80)59-25-42(72)67-45(29(2)70)54(84)65-39(21-31-10-6-4-7-11-31)52(82)68-46(30(3)71)55(85)66-41(26-69)53(83)64-40(23-44(75)76)51(81)63-38(47(57)77)20-32-14-16-34(17-15-32)33-12-8-5-9-13-33/h4-17,24,27-30,36-41,45-46,69-71H,18-23,25-26,56H2,1-3H3,(H2,57,77)(H,58,60)(H,59,80)(H,61,79)(H,62,78)(H,63,81)(H,64,83)(H,65,84)(H,66,85)(H,67,72)(H,68,82)(H,73,74)(H,75,76)/t28-,29+,30+,36-,37-,38-,39-,40-,41-,45-,46-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301931
PNG
((4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-5-yl)p...)
Show SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C70H84N14O18/c1-38(76-63(95)49(71)32-48-34-73-37-75-48)62(94)77-50(27-28-57(89)90)64(96)74-35-56(88)83-59(39(2)86)69(101)81-53(30-41-13-7-4-8-14-41)67(99)84-60(40(3)87)70(102)82-55(36-85)68(100)80-54(33-58(91)92)66(98)79-52(31-43-21-25-47(26-22-43)45-17-11-6-12-18-45)65(97)78-51(61(72)93)29-42-19-23-46(24-20-42)44-15-9-5-10-16-44/h4-26,34,37-40,49-55,59-60,85-87H,27-33,35-36,71H2,1-3H3,(H2,72,93)(H,73,75)(H,74,96)(H,76,95)(H,77,94)(H,78,97)(H,79,98)(H,80,100)(H,81,101)(H,82,102)(H,83,88)(H,84,99)(H,89,90)(H,91,92)/t38-,39+,40+,49-,50-,51-,52-,53-,54-,55-,59-,60-/m0/s1
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n/an/an/an/a 545n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Mus musculus)
BDBM50301952
PNG
((3S,6S,9S,12S,15S,21S)-21-(2-((S)-2-amino-3-(1H-im...)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C76H95FN14O19/c1-9-45-32-50(110-8)26-27-52(45)47-24-20-44(21-25-47)31-57(68(103)83-56(65(79)100)30-43-18-22-46(23-19-43)51-16-12-10-14-40(51)2)84-69(104)58(34-62(98)99)85-70(105)59(38-92)86-71(106)63(41(3)93)89-74(109)76(7,35-48-15-11-13-17-53(48)77)91-72(107)64(42(4)94)88-60(95)37-81-67(102)55(28-29-61(96)97)87-73(108)75(5,6)90-66(101)54(78)33-49-36-80-39-82-49/h10-27,32,36,39,41-42,54-59,63-64,92-94H,9,28-31,33-35,37-38,78H2,1-8H3,(H2,79,100)(H,80,82)(H,81,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,108)(H,88,95)(H,89,109)(H,90,101)(H,91,107)(H,96,97)(H,98,99)/t41-,42-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1
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KEGG

UniProtKB/SwissProt

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n/an/an/an/a 2.40n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at mouse GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation by scintillation proximity assa...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Mus musculus)
BDBM50301953
PNG
((3S,6S,9S,12S,15S,21S)-21-(2-((S)-2-amino-3-(1H-im...)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2c(F)cccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C76H94F2N14O19/c1-9-44-31-48(111-8)25-26-50(44)46-23-19-43(20-24-46)30-57(68(104)84-56(65(80)101)29-42-17-21-45(22-18-42)49-14-11-10-13-39(49)2)85-69(105)58(33-62(99)100)86-70(106)59(37-93)87-71(107)63(40(3)94)90-74(110)76(7,34-51-52(77)15-12-16-53(51)78)92-72(108)64(41(4)95)89-60(96)36-82-67(103)55(27-28-61(97)98)88-73(109)75(5,6)91-66(102)54(79)32-47-35-81-38-83-47/h10-26,31,35,38,40-41,54-59,63-64,93-95H,9,27-30,32-34,36-37,79H2,1-8H3,(H2,80,101)(H,81,83)(H,82,103)(H,84,104)(H,85,105)(H,86,106)(H,87,107)(H,88,109)(H,89,96)(H,90,110)(H,91,102)(H,92,108)(H,97,98)(H,99,100)/t40-,41-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1
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n/an/an/an/a 0.800n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at mouse GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation by scintillation proximity assa...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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n/an/an/a 802n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human kFABP


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50301952
PNG
((3S,6S,9S,12S,15S,21S)-21-(2-((S)-2-amino-3-(1H-im...)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C76H95FN14O19/c1-9-45-32-50(110-8)26-27-52(45)47-24-20-44(21-25-47)31-57(68(103)83-56(65(79)100)30-43-18-22-46(23-19-43)51-16-12-10-14-40(51)2)84-69(104)58(34-62(98)99)85-70(105)59(38-92)86-71(106)63(41(3)93)89-74(109)76(7,35-48-15-11-13-17-53(48)77)91-72(107)64(42(4)94)88-60(95)37-81-67(102)55(28-29-61(96)97)87-73(108)75(5,6)90-66(101)54(78)33-49-36-80-39-82-49/h10-27,32,36,39,41-42,54-59,63-64,92-94H,9,28-31,33-35,37-38,78H2,1-8H3,(H2,79,100)(H,80,82)(H,81,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,108)(H,88,95)(H,89,109)(H,90,101)(H,91,107)(H,96,97)(H,98,99)/t41-,42-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at glucagon receptor


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301933
PNG
((2S,5S,9S,12S,15S,18S,21S,27S)-27-((S)-2-((S)-2-am...)
Show SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C70H83N13O19/c1-38(75-62(93)49(71)32-48-34-72-37-74-48)61(92)76-50(27-28-57(88)89)63(94)73-35-56(87)82-59(39(2)85)68(99)79-52(29-41-13-7-4-8-14-41)66(97)83-60(40(3)86)69(100)81-55(36-84)67(98)78-53(33-58(90)91)65(96)77-51(30-42-19-23-46(24-20-42)44-15-9-5-10-16-44)64(95)80-54(70(101)102)31-43-21-25-47(26-22-43)45-17-11-6-12-18-45/h4-26,34,37-40,49-55,59-60,84-86H,27-33,35-36,71H2,1-3H3,(H,72,74)(H,73,94)(H,75,93)(H,76,92)(H,77,96)(H,78,98)(H,79,99)(H,80,95)(H,81,100)(H,82,87)(H,83,97)(H,88,89)(H,90,91)(H,101,102)/t38-,39+,40+,49-,50-,51-,52-,53-,54-,55-,59-,60-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301934
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C85H97N15O19/c1-48(91-77(111)62(86)42-61-44-88-47-90-61)76(110)92-63(36-37-71(105)106)78(112)89-45-70(104)99-73(49(2)102)84(118)97-67(39-51-16-8-4-9-17-51)82(116)100-74(50(3)103)85(119)98-69(46-101)83(117)96-68(43-72(107)108)81(115)95-66(41-54-28-34-60(35-29-54)57-22-14-7-15-23-57)80(114)94-65(40-53-26-32-59(33-27-53)56-20-12-6-13-21-56)79(113)93-64(75(87)109)38-52-24-30-58(31-25-52)55-18-10-5-11-19-55/h4-35,44,47-50,62-69,73-74,101-103H,36-43,45-46,86H2,1-3H3,(H2,87,109)(H,88,90)(H,89,112)(H,91,111)(H,92,110)(H,93,113)(H,94,114)(H,95,115)(H,96,117)(H,97,118)(H,98,119)(H,99,104)(H,100,116)(H,105,106)(H,107,108)/t48-,49+,50+,62-,63-,64-,65-,66-,67-,68-,69-,73-,74-/m0/s1
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n/an/an/an/a 787n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50301935
PNG
((3S,6S,9S,12S,15S,21S)-21-((S)-2-((S)-2-amino-3-(1...)
Show SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1C)C(N)=O |r|
Show InChI InChI=1S/C71H86N14O18/c1-38-13-11-12-18-49(38)47-25-21-43(22-26-47)29-52(62(73)94)79-66(98)53(31-44-19-23-46(24-20-44)45-16-9-6-10-17-45)80-67(99)55(33-59(92)93)81-69(101)56(36-86)83-71(103)61(41(4)88)85-68(100)54(30-42-14-7-5-8-15-42)82-70(102)60(40(3)87)84-57(89)35-75-65(97)51(27-28-58(90)91)78-63(95)39(2)77-64(96)50(72)32-48-34-74-37-76-48/h5-26,34,37,39-41,50-56,60-61,86-88H,27-33,35-36,72H2,1-4H3,(H2,73,94)(H,74,76)(H,75,97)(H,77,96)(H,78,95)(H,79,98)(H,80,99)(H,81,101)(H,82,102)(H,83,103)(H,84,89)(H,85,100)(H,90,91)(H,92,93)/t39-,40+,41+,50-,51-,52-,53-,54-,55-,56-,60-,61-/m0/s1
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n/an/an/an/a 480n/an/an/an/a



Bristol-Myers Squibb Company Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation ...


J Med Chem 52: 7788-99 (2009)


Article DOI: 10.1021/jm900752a
BindingDB Entry DOI: 10.7270/Q2VH5PRK
More data for this
Ligand-Target Pair