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PubMed code 25241924

Compile data set for download or QSAR
Found 47 hits of Enzyme Inhibition Constant Data   
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
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
UniProtKB/SwissProt

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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-2A adrenergic receptor (unknown origin) expressed in CHOK1 cells after 15 mins by calcium flux/FLIPR assay in presence o...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1A adrenergic receptor (unknown origin) expressed in CHOK1 cells after 15 mins by calcium flux/FLIPR assay in presence o...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at thromboxane A2 receptor (unknown origin) expressed in HEK293-EBNA cells after 15 mins by calcium flux/FLIPR assay in presence ...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
KEGG

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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at D1A receptor (unknown origin) expressed in CHOK1 cells after 5 mins by HTRF cAMP immunoassay in presence of cAMP/SKF38393


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT2B receptor (unknown origin) expressed in CHOK1 cells after 15 mins by calcium flux/FLIPR assay in presence of BW723C86


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
Reactome pathway
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT2A receptor (unknown origin) expressed in CHOK1 cells after 15 mins by calcium flux/FLIPR assay in presence of 5HT


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
PDB

NCI pathway
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n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at CB1 receptor (unknown origin) expressed in rat CHEM-1 cells after 15 mins by calcium flux/FLIPR assay in presence of CP55940


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at muscarinic acetylcholine receptor M2 (unknown origin) expressed in CHOK1 cells after 15 mins by calcium flux/FLIPR assay in pr...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
UniProtKB/SwissProt

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n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A receptor (unknown origin) expressed in HeLa cells after 15 mins by calcium flux/FLIPR assay in presence of R-(+)-8-OH-DP...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027921
PNG
(CHEMBL3338695)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C73H116N12O15/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-31-59(90)81-60(44(6)7)70(97)84-63(48(11)88)72(99)80-57(38-43(4)5)73(100)85-36-27-30-58(85)69(96)78-54(37-42(2)3)67(94)77-56(40-50-41-75-53-29-26-25-28-52(50)53)66(93)76-45(8)65(92)83-62(47(10)87)71(98)79-55(39-49-32-34-51(89)35-33-49)68(95)82-61(46(9)86)64(74)91/h25-26,28-29,32-35,41-48,54-58,60-63,75,86-89H,12-24,27,30-31,36-40H2,1-11H3,(H2,74,91)(H,76,93)(H,77,94)(H,78,96)(H,79,98)(H,80,99)(H,81,90)(H,82,95)(H,83,92)(H,84,97)/t45-,46+,47+,48+,54-,55-,56-,57-,58-,60-,61-,62-,63-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
UniProtKB/SwissProt

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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at 5HT1A receptor (unknown origin) expressed in HeLa cells after 3 mins by calcium flux/FLIPR assay


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027849
PNG
(CHEMBL3338680)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C86H133N17O18/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-32-70(109)92-51(6)75(111)100-72(54(9)105)84(120)99-68(44-50(4)5)85(121)103-42-27-31-69(103)81(117)96-64(43-49(2)3)78(114)95-67(47-58-48-91-62-29-25-24-28-61(58)62)77(113)93-52(7)76(112)101-71(53(8)104)82(118)98-66(46-57-35-39-60(108)40-36-57)80(116)102-73(55(10)106)83(119)97-65(45-56-33-37-59(107)38-34-56)79(115)94-63(74(87)110)30-26-41-90-86(88)89/h24-25,28-29,33-40,48-55,63-69,71-73,91,104-108H,11-23,26-27,30-32,41-47H2,1-10H3,(H2,87,110)(H,92,109)(H,93,113)(H,94,115)(H,95,114)(H,96,117)(H,97,119)(H,98,118)(H,99,120)(H,100,111)(H,101,112)(H,102,116)(H4,88,89,90)/t51-,52-,53+,54+,55+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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n/an/an/an/a 199n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027853
PNG
(CHEMBL3338701)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
Show InChI InChI=1/C105H156N20O26/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-83(132)121-86(59(6)7)100(147)124-89(63(11)128)103(150)120-81(49-58(4)5)104(151)125-47-28-32-82(125)99(146)117-75(48-57(2)3)94(141)115-79(53-67-56-110-72-30-26-25-29-71(67)72)93(140)111-60(8)91(138)122-87(61(9)126)101(148)119-78(52-66-38-44-70(131)45-39-66)98(145)123-88(62(10)127)102(149)118-77(51-65-36-42-69(130)43-37-65)95(142)112-73(31-27-46-109-105(107)108)92(139)116-80(55-85(135)136)97(144)114-76(50-64-34-40-68(129)41-35-64)96(143)113-74(90(106)137)54-84(133)134/h25-26,29-30,34-45,56-63,73-82,86-89,110,126-131H,12-24,27-28,31-33,46-55H2,1-11H3,(H2,106,137)(H,111,140)(H,112,142)(H,113,143)(H,114,144)(H,115,141)(H,116,139)(H,117,146)(H,118,149)(H,119,148)(H,120,150)(H,121,132)(H,122,138)(H,123,145)(H,124,147)(H,133,134)(H,135,136)(H4,107,108,109)/t60-,61+,62+,63+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-,89-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027918
PNG
(CHEMBL3338696)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C60H100N10O11/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-30-49(73)67-50(38(6)7)58(79)69-52(41(10)72)59(80)66-47(33-37(4)5)60(81)70-31-26-29-48(70)57(78)65-45(32-36(2)3)56(77)64-46(34-42-35-62-44-28-25-24-27-43(42)44)55(76)63-39(8)54(75)68-51(40(9)71)53(61)74/h24-25,27-28,35-41,45-48,50-52,62,71-72H,11-23,26,29-34H2,1-10H3,(H2,61,74)(H,63,76)(H,64,77)(H,65,78)(H,66,80)(H,67,73)(H,68,75)(H,69,79)/t39-,40+,41+,45-,46-,47-,48-,50-,51-,52-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027832
PNG
(CHEMBL3338691)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C83H128N16O17/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-31-68(105)96-69(51(7)100)79(113)95-66(43-49(4)5)82(116)99-41-26-30-67(99)78(112)92-62(42-48(2)3)75(109)91-65(46-56-47-88-60-28-24-23-27-59(56)60)74(108)89-50(6)73(107)97-70(52(8)101)80(114)94-64(45-55-34-38-58(104)39-35-55)77(111)98-71(53(9)102)81(115)93-63(44-54-32-36-57(103)37-33-54)76(110)90-61(72(84)106)29-25-40-87-83(85)86/h23-24,27-28,32-39,47-53,61-67,69-71,88,100-104H,10-22,25-26,29-31,40-46H2,1-9H3,(H2,84,106)(H,89,108)(H,90,110)(H,91,109)(H,92,112)(H,93,115)(H,94,114)(H,95,113)(H,96,105)(H,97,107)(H,98,111)(H4,85,86,87)/t50-,51+,52+,53+,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem
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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027851
PNG
(CHEMBL3338678)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
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UniChem

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Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027892
PNG
(CHEMBL3337468)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C102H155N19O20/c1-14-15-16-17-18-19-20-21-22-23-24-25-29-40-82(127)109-76(53-66-34-27-26-28-35-66)93(133)116-83(60(6)7)96(136)117-84(61(8)9)97(137)120-87(65(13)124)100(140)115-80(52-59(4)5)101(141)121-50-33-39-81(121)95(135)112-75(51-58(2)3)91(131)111-79(56-69-57-107-73-37-31-30-36-72(69)73)90(130)108-62(10)89(129)118-85(63(11)122)98(138)114-78(55-68-43-47-71(126)48-44-68)94(134)119-86(64(12)123)99(139)113-77(54-67-41-45-70(125)46-42-67)92(132)110-74(88(103)128)38-32-49-106-102(104)105/h26-28,30-31,34-37,41-48,57-65,74-81,83-87,107,122-126H,14-25,29,32-33,38-40,49-56H2,1-13H3,(H2,103,128)(H,108,130)(H,109,127)(H,110,132)(H,111,131)(H,112,135)(H,113,139)(H,114,138)(H,115,140)(H,116,133)(H,117,136)(H,118,129)(H,119,134)(H,120,137)(H4,104,105,106)/t62-,63+,64+,65+,74-,75-,76-,77-,78-,79-,80-,81-,83-,84-,85-,86-,87-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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UniChem
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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at beta-2 adrenergic receptor (unknown origin) expressed in CHOK1 cells by HTRF cAMP immunoassay


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at D1A receptor (unknown origin) expressed in CHOK1 cells by HTRF cAMP immunoassay


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
UniProtKB/SwissProt

antibodypedia
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UniChem

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Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at thromboxane A2 receptor (unknown origin) expressed in HEK293-EBNA cells after 3 mins by calcium flux/FLIPR assay


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027833
PNG
(CHEMBL3338690)
Show SMILES CCCCCCCCCCCCCCCC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(N)=O |r|
Show InChI InChI=1/C86H132N14O18/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-33-70(106)99(13)74(51(6)7)85(117)98-73(56(12)103)84(116)95-68(44-50(4)5)86(118)100-42-29-32-69(100)81(113)92-64(43-49(2)3)79(111)91-67(47-59-48-88-63-31-28-27-30-62(59)63)78(110)90-53(9)76(108)96-71(54(10)101)82(114)94-66(46-58-36-40-61(105)41-37-58)80(112)97-72(55(11)102)83(115)93-65(77(109)89-52(8)75(87)107)45-57-34-38-60(104)39-35-57/h27-28,30-31,34-41,48-56,64-69,71-74,88,101-105H,14-26,29,32-33,42-47H2,1-13H3,(H2,87,107)(H,89,109)(H,90,110)(H,91,111)(H,92,113)(H,93,115)(H,94,114)(H,95,116)(H,96,108)(H,97,112)(H,98,117)/t52-,53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027834
PNG
(CHEMBL3338689)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C82H133N17O17/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-34-65(104)95-66(48(6)7)77(112)98-69(53(12)102)80(115)94-63(42-47(4)5)81(116)99-40-29-33-64(99)76(111)92-60(41-46(2)3)74(109)91-62(44-55-45-87-58-31-27-26-30-57(55)58)73(108)88-50(9)72(107)96-68(52(11)101)79(114)93-61(43-54-35-37-56(103)38-36-54)75(110)97-67(51(10)100)78(113)89-49(8)71(106)90-59(70(83)105)32-28-39-86-82(84)85/h26-27,30-31,35-38,45-53,59-64,66-69,87,100-103H,13-25,28-29,32-34,39-44H2,1-12H3,(H2,83,105)(H,88,108)(H,89,113)(H,90,106)(H,91,109)(H,92,111)(H,93,114)(H,94,115)(H,95,104)(H,96,107)(H,97,110)(H,98,112)(H4,84,85,86)/t49-,50-,51+,52+,53+,59-,60-,61-,62-,63-,64-,66-,67-,68-,69-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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Article
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n/an/an/an/a 2.70n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027836
PNG
(CHEMBL3338688)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C87H135N17O17/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(109)101-72(52(6)7)83(118)103-74(56(11)106)85(120)100-69(45-51(4)5)86(121)104-43-28-32-70(104)82(117)98-65(44-50(2)3)80(115)97-68(48-59-49-92-63-30-26-25-29-62(59)63)79(114)94-54(9)77(112)102-73(55(10)105)84(119)99-66(46-57-34-38-60(107)39-35-57)78(113)93-53(8)76(111)96-67(47-58-36-40-61(108)41-37-58)81(116)95-64(75(88)110)31-27-42-91-87(89)90/h25-26,29-30,34-41,49-56,64-70,72-74,92,105-108H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,88,110)(H,93,113)(H,94,114)(H,95,116)(H,96,111)(H,97,115)(H,98,117)(H,99,119)(H,100,120)(H,101,109)(H,102,112)(H,103,118)(H4,89,90,91)/t53-,54-,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027843
PNG
(CHEMBL3338685)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C80H132N16O18/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-30-63(102)92-64(47(6)7)75(110)95-67(52(12)99)78(113)91-61(42-46(4)5)79(114)96-40-27-29-62(96)74(109)88-58(41-45(2)3)71(106)86-48(8)69(104)85-49(9)70(105)93-65(50(10)97)76(111)90-60(44-54-33-37-56(101)38-34-54)73(108)94-66(51(11)98)77(112)89-59(43-53-31-35-55(100)36-32-53)72(107)87-57(68(81)103)28-26-39-84-80(82)83/h31-38,45-52,57-62,64-67,97-101H,13-30,39-44H2,1-12H3,(H2,81,103)(H,85,104)(H,86,106)(H,87,107)(H,88,109)(H,89,112)(H,90,111)(H,91,113)(H,92,102)(H,93,105)(H,94,108)(H,95,110)(H4,82,83,84)/t48-,49-,50+,51+,52+,57-,58-,59-,60-,61-,62-,64-,65-,66-,67-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027847
PNG
(CHEMBL3338682)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C85H131N17O18/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-32-68(108)98-69(49(4)5)80(116)101-70(52(8)103)81(117)92-51(7)84(120)102-42-27-31-67(102)79(115)95-63(43-48(2)3)76(112)94-66(46-57-47-90-61-29-25-24-28-60(57)61)75(111)91-50(6)74(110)99-71(53(9)104)82(118)97-65(45-56-35-39-59(107)40-36-56)78(114)100-72(54(10)105)83(119)96-64(44-55-33-37-58(106)38-34-55)77(113)93-62(73(86)109)30-26-41-89-85(87)88/h24-25,28-29,33-40,47-54,62-67,69-72,90,103-107H,11-23,26-27,30-32,41-46H2,1-10H3,(H2,86,109)(H,91,111)(H,92,117)(H,93,113)(H,94,112)(H,95,115)(H,96,119)(H,97,118)(H,98,108)(H,99,110)(H,100,114)(H,101,116)(H4,87,88,89)/t50-,51-,52+,53+,54+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem

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Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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Article
PubMed
n/an/an/an/a 470n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in Chem-5 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027854
PNG
(CHEMBL3338700)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C101H151N19O23/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-81(127)116-83(58(6)7)96(139)119-86(62(11)123)99(142)115-79(49-57(4)5)100(143)120-47-28-32-80(120)95(138)112-74(48-56(2)3)91(134)110-77(53-66-55-106-71-30-26-25-29-70(66)71)90(133)107-59(8)88(131)117-84(60(9)121)97(140)114-76(52-65-38-44-69(126)45-39-65)94(137)118-85(61(10)122)98(141)113-75(51-64-36-42-68(125)43-37-64)92(135)108-72(31-27-46-105-101(103)104)89(132)111-78(54-82(128)129)93(136)109-73(87(102)130)50-63-34-40-67(124)41-35-63/h25-26,29-30,34-45,55-62,72-80,83-86,106,121-126H,12-24,27-28,31-33,46-54H2,1-11H3,(H2,102,130)(H,107,133)(H,108,135)(H,109,136)(H,110,134)(H,111,132)(H,112,138)(H,113,141)(H,114,140)(H,115,142)(H,116,127)(H,117,131)(H,118,137)(H,119,139)(H,128,129)(H4,103,104,105)/t59-,60+,61+,62+,72-,73-,74-,75-,76-,77-,78-,79-,80-,83-,84-,85-,86-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027855
PNG
(CHEMBL3338699)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
Show InChI InChI=1/C92H142N18O21/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-73(116)106-75(53(6)7)87(127)109-78(57(11)113)90(130)105-71(45-52(4)5)91(131)110-43-28-32-72(110)86(126)102-67(44-51(2)3)83(123)101-70(48-60-50-97-64-30-26-25-29-63(60)64)82(122)98-54(8)80(120)107-76(55(9)111)88(128)104-69(47-59-36-40-62(115)41-37-59)85(125)108-77(56(10)112)89(129)103-68(46-58-34-38-61(114)39-35-58)84(124)99-65(31-27-42-96-92(94)95)81(121)100-66(79(93)119)49-74(117)118/h25-26,29-30,34-41,50-57,65-72,75-78,97,111-115H,12-24,27-28,31-33,42-49H2,1-11H3,(H2,93,119)(H,98,122)(H,99,124)(H,100,121)(H,101,123)(H,102,126)(H,103,129)(H,104,128)(H,105,130)(H,106,116)(H,107,120)(H,108,125)(H,109,127)(H,117,118)(H4,94,95,96)/t54-,55+,56+,57+,65-,66-,67-,68-,69-,70-,71-,72-,75-,76-,77-,78-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 226n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027868
PNG
(CHEMBL3338698)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C106H162N20O22/c1-15-16-17-18-19-20-21-22-23-24-25-26-30-41-84(133)120-87(64(11)127)101(144)117-79(54-68-35-28-27-29-36-68)96(139)121-85(61(6)7)99(142)122-86(62(8)9)100(143)125-90(67(14)130)104(147)119-82(53-60(4)5)105(148)126-51-34-40-83(126)98(141)115-77(52-59(2)3)94(137)114-81(57-71-58-111-75-38-32-31-37-74(71)75)93(136)112-63(10)92(135)123-88(65(12)128)102(145)118-80(56-70-44-48-73(132)49-45-70)97(140)124-89(66(13)129)103(146)116-78(55-69-42-46-72(131)47-43-69)95(138)113-76(91(107)134)39-33-50-110-106(108)109/h27-29,31-32,35-38,42-49,58-67,76-83,85-90,111,127-132H,15-26,30,33-34,39-41,50-57H2,1-14H3,(H2,107,134)(H,112,136)(H,113,138)(H,114,137)(H,115,141)(H,116,146)(H,117,144)(H,118,145)(H,119,147)(H,120,133)(H,121,139)(H,122,142)(H,123,135)(H,124,140)(H,125,143)(H4,108,109,110)/t63-,64+,65+,66+,67+,76-,77-,78-,79-,80-,81-,82-,83-,85-,86-,87-,88-,89-,90-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem

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PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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UniChem

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PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor (unknown origin) expressed in rat CHEM-1 cells after 3 mins by calcium flux/FLIPR assay


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027830
PNG
(CHEMBL3338693)
Show SMILES CCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C73H110N14O14/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-28-61(92)87-38-23-27-60(87)70(99)82-56(39-44(2)3)67(96)81-59(42-50-43-78-54-25-21-20-24-53(50)54)66(95)79-45(4)65(94)85-62(46(5)88)71(100)84-58(41-49-31-35-52(91)36-32-49)69(98)86-63(47(6)89)72(101)83-57(40-48-29-33-51(90)34-30-48)68(97)80-55(64(74)93)26-22-37-77-73(75)76/h20-21,24-25,29-36,43-47,55-60,62-63,78,88-91H,7-19,22-23,26-28,37-42H2,1-6H3,(H2,74,93)(H,79,95)(H,80,97)(H,81,96)(H,82,99)(H,83,101)(H,84,100)(H,85,94)(H,86,98)(H4,75,76,77)/t45-,46+,47+,55-,56-,57-,58-,59-,60-,62-,63-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027831
PNG
(CHEMBL3338692)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C79H121N15O15/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-30-66(99)86-64(42-48(4)5)78(109)94-40-25-29-65(94)75(106)89-60(41-47(2)3)72(103)88-63(45-54-46-84-58-27-23-22-26-57(54)58)71(102)85-49(6)70(101)92-67(50(7)95)76(107)91-62(44-53-33-37-56(98)38-34-53)74(105)93-68(51(8)96)77(108)90-61(43-52-31-35-55(97)36-32-52)73(104)87-59(69(80)100)28-24-39-83-79(81)82/h22-23,26-27,31-38,46-51,59-65,67-68,84,95-98H,9-21,24-25,28-30,39-45H2,1-8H3,(H2,80,100)(H,85,102)(H,86,99)(H,87,104)(H,88,103)(H,89,106)(H,90,108)(H,91,107)(H,92,101)(H,93,105)(H4,81,82,83)/t49-,50+,51+,59-,60-,61-,62-,63-,64-,65-,67-,68-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027844
PNG
(CHEMBL3338684)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C85H131N17O18/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-32-68(108)98-69(49(4)5)80(116)101-72(54(10)105)83(119)97-66(43-48(2)3)84(120)102-42-27-31-67(102)79(115)92-50(6)74(110)94-65(46-57-47-90-61-29-25-24-28-60(57)61)76(112)91-51(7)75(111)99-70(52(8)103)81(117)96-64(45-56-35-39-59(107)40-36-56)78(114)100-71(53(9)104)82(118)95-63(44-55-33-37-58(106)38-34-55)77(113)93-62(73(86)109)30-26-41-89-85(87)88/h24-25,28-29,33-40,47-54,62-67,69-72,90,103-107H,11-23,26-27,30-32,41-46H2,1-10H3,(H2,86,109)(H,91,112)(H,92,115)(H,93,113)(H,94,110)(H,95,118)(H,96,117)(H,97,119)(H,98,108)(H,99,111)(H,100,114)(H,101,116)(H4,87,88,89)/t50-,51-,52+,53+,54+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 34n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027922
PNG
(CHEMBL3338694)
Show SMILES CCCCCCCCCCCCCCCCN[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C82H127N13O16/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-27-40-84-68(50(6)7)78(107)94-71(54(11)98)81(110)91-66(43-49(4)5)82(111)95-41-28-31-67(95)77(106)89-63(42-48(2)3)75(104)88-65(46-57-47-85-61-30-26-25-29-60(57)61)74(103)86-51(8)73(102)92-69(52(9)96)80(109)90-64(45-56-34-38-59(100)39-35-56)76(105)93-70(53(10)97)79(108)87-62(72(83)101)44-55-32-36-58(99)37-33-55/h25-26,29-30,32-39,47-54,62-71,84-85,96-100H,12-24,27-28,31,40-46H2,1-11H3,(H2,83,101)(H,86,103)(H,87,108)(H,88,104)(H,89,106)(H,90,109)(H,91,110)(H,92,102)(H,93,105)(H,94,107)/t51-,52+,53+,54+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/s2
PDB

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UniProtKB/SwissProt

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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) expressed in CHOK1 cells after 3 mins by calcium flux/FLIPR assay


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
PDB

UniProtKB/SwissProt

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UniChem

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PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic acetylcholine receptor M2 (unknown origin) expressed in CHOK1 cells after 3 mins by calcium flux/FLIPR assay


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027894
PNG
(CHEMBL3338697)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C93H146N18O19/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-35-74(117)106-75(54(6)7)87(125)107-76(55(8)9)88(126)110-79(59(13)114)91(129)105-72(47-53(4)5)92(130)111-45-30-34-73(111)86(124)102-68(46-52(2)3)83(121)101-71(50-62-51-98-66-32-28-27-31-65(62)66)82(120)99-56(10)81(119)108-77(57(11)112)89(127)104-70(49-61-38-42-64(116)43-39-61)85(123)109-78(58(12)113)90(128)103-69(48-60-36-40-63(115)41-37-60)84(122)100-67(80(94)118)33-29-44-97-93(95)96/h27-28,31-32,36-43,51-59,67-73,75-79,98,112-116H,14-26,29-30,33-35,44-50H2,1-13H3,(H2,94,118)(H,99,120)(H,100,122)(H,101,121)(H,102,124)(H,103,128)(H,104,127)(H,105,129)(H,106,117)(H,107,125)(H,108,119)(H,109,123)(H,110,126)(H4,95,96,97)/t56-,57+,58+,59+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-/s2
PDB

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KEGG

UniProtKB/SwissProt

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UniChem
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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027848
PNG
(CHEMBL3338681)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C87H135N17O17/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(109)101-72(52(6)7)83(118)94-53(8)76(111)100-69(45-51(4)5)86(121)104-43-28-32-70(104)82(117)97-65(44-50(2)3)79(114)96-68(48-59-49-92-63-30-26-25-29-62(59)63)78(113)93-54(9)77(112)102-73(55(10)105)84(119)99-67(47-58-36-40-61(108)41-37-58)81(116)103-74(56(11)106)85(120)98-66(46-57-34-38-60(107)39-35-57)80(115)95-64(75(88)110)31-27-42-91-87(89)90/h25-26,29-30,34-41,49-56,64-70,72-74,92,105-108H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,88,110)(H,93,113)(H,94,118)(H,95,115)(H,96,114)(H,97,117)(H,98,120)(H,99,119)(H,100,111)(H,101,109)(H,102,112)(H,103,116)(H4,89,90,91)/t53-,54-,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-/s2
PDB

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KEGG

UniProtKB/SwissProt

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n/an/an/an/a 41n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50014619
PNG
(CHEMBL3184840)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
PDB

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UniProtKB/SwissProt

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n/an/an/an/a 12n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
UniProtKB/SwissProt

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UniChem

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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at alpha-2A adrenergic receptor (unknown origin) expressed in CHOK1 cells after 3 mins by calcium flux/FLIPR assay


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
Reactome pathway
KEGG

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UniChem

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PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at alpha-1A adrenergic receptor (unknown origin) expressed in CHOK1 cells after 3 mins by calcium flux/FLIPR assay


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/s2
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KEGG

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PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor (unknown origin) expressed in CHOK1 cells after 3 mins by calcium flux/FLIPR assay


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027850
PNG
(CHEMBL3338679)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C74H109N17O18/c1-36(2)30-52(84-68(104)57-19-15-29-91(57)73(109)56(31-37(3)4)87-72(108)61(42(10)94)90-69(105)58(38(5)6)81-43(11)95)65(101)83-55(34-46-35-79-50-17-13-12-16-49(46)50)64(100)80-39(7)63(99)88-59(40(8)92)70(106)86-54(33-45-22-26-48(97)27-23-45)67(103)89-60(41(9)93)71(107)85-53(32-44-20-24-47(96)25-21-44)66(102)82-51(62(75)98)18-14-28-78-74(76)77/h12-13,16-17,20-27,35-42,51-61,79,92-94,96-97H,14-15,18-19,28-34H2,1-11H3,(H2,75,98)(H,80,100)(H,81,95)(H,82,102)(H,83,101)(H,84,104)(H,85,107)(H,86,106)(H,87,108)(H,88,99)(H,89,103)(H,90,105)(H4,76,77,78)/t39-,40+,41+,42+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/s2
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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027845
PNG
(CHEMBL3338683)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C86H135N17O18/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-32-69(109)100-70(50(6)7)82(118)103-73(55(12)106)85(121)97-64(42-48(2)3)77(113)92-51(8)75(111)95-65(43-49(4)5)79(115)96-68(46-58-47-91-62-30-27-26-29-61(58)62)78(114)93-52(9)76(112)101-71(53(10)104)83(119)99-67(45-57-35-39-60(108)40-36-57)81(117)102-72(54(11)105)84(120)98-66(44-56-33-37-59(107)38-34-56)80(116)94-63(74(87)110)31-28-41-90-86(88)89/h26-27,29-30,33-40,47-55,63-68,70-73,91,104-108H,13-25,28,31-32,41-46H2,1-12H3,(H2,87,110)(H,92,113)(H,93,114)(H,94,116)(H,95,111)(H,96,115)(H,97,121)(H,98,120)(H,99,119)(H,100,109)(H,101,112)(H,102,117)(H,103,118)(H4,88,89,90)/t51-,52-,53+,54+,55+,63-,64-,65-,66-,67-,68-,70-,71-,72-,73-/s2
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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027837
PNG
(CHEMBL3338687)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C82H133N17O17/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-34-65(104)95-66(48(6)7)77(112)98-69(53(12)102)80(115)94-63(42-47(4)5)81(116)99-40-29-33-64(99)76(111)92-60(41-46(2)3)74(109)91-62(44-55-45-87-58-31-27-26-30-57(55)58)73(108)88-49(8)71(106)96-67(51(10)100)78(113)89-50(9)72(107)97-68(52(11)101)79(114)93-61(43-54-35-37-56(103)38-36-54)75(110)90-59(70(83)105)32-28-39-86-82(84)85/h26-27,30-31,35-38,45-53,59-64,66-69,87,100-103H,13-25,28-29,32-34,39-44H2,1-12H3,(H2,83,105)(H,88,108)(H,89,113)(H,90,110)(H,91,109)(H,92,111)(H,93,114)(H,94,115)(H,95,104)(H,96,106)(H,97,107)(H,98,112)(H4,84,85,86)/t49-,50-,51+,52+,53+,59-,60-,61-,62-,63-,64-,66-,67-,68-,69-/s2
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n/an/an/an/a 96n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027842
PNG
(CHEMBL3338686)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C87H135N17O17/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(109)101-72(52(6)7)83(118)103-74(56(11)106)85(120)100-69(45-51(4)5)86(121)104-43-28-32-70(104)82(117)98-65(44-50(2)3)79(114)97-68(48-59-49-92-63-30-26-25-29-62(59)63)78(113)94-53(8)76(111)93-54(9)77(112)96-67(47-58-36-40-61(108)41-37-58)81(116)102-73(55(10)105)84(119)99-66(46-57-34-38-60(107)39-35-57)80(115)95-64(75(88)110)31-27-42-91-87(89)90/h25-26,29-30,34-41,49-56,64-70,72-74,92,105-108H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,88,110)(H,93,111)(H,94,113)(H,95,115)(H,96,112)(H,97,114)(H,98,117)(H,99,119)(H,100,120)(H,101,109)(H,102,116)(H,103,118)(H4,89,90,91)/t53-,54-,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-/s2
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n/an/an/an/a 22n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%