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Compile Data Set for Download or QSAR

Found 148 hits of ec50 data for polymerid = 3035   
Target
(Institution)
LigandTarget
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
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50082078
PNG
(CHEMBL3422411)
Show SMILES CC(C)C[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1/C64H84N18O16/c1-33(2)24-45(56(91)73-43(14-9-23-70-63(68)69)55(90)74-44(54(67)89)25-36-15-19-39(85)20-16-36)80-64(98)82-81-62(97)47(26-35-10-5-4-6-11-35)75-61(96)51(32-83)79-60(95)50(30-53(66)88)78-58(93)48(28-38-31-71-42-13-8-7-12-41(38)42)76-59(94)49(29-52(65)87)77-57(92)46(72-34(3)84)27-37-17-21-40(86)22-18-37/h4-8,10-13,15-22,31,33,43-51,71,83,85-86H,9,14,23-30,32H2,1-3H3,(H2,65,87)(H2,66,88)(H2,67,89)(H,72,84)(H,73,91)(H,74,90)(H,75,96)(H,76,94)(H,77,92)(H,78,93)(H,79,95)(H,81,97)(H4,68,69,70)(H2,80,82,98)/t43-,44-,45-,46-,47-,48-,49-,50-,51-/s2
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n/an/an/an/a 0.00600n/an/an/an/a



UMR7247; Universit£ Fran£ois Rabelais Tours; IFCE)

Curated by ChEMBL


Assay Description
Agonist activity at human wild-type KISS1R expressed in HEK293 cells assessed as induction of intracellular Ca2+ mobilization after 30 mins by Fluo4 ...


J Med Chem 58: 3459-70 (2015)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392485
PNG
(CHEMBL2152055)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C64H85N17O14/c1-35(2)25-46(59(91)75-44(19-12-24-71-64(69)70-3)58(90)76-45(55(68)87)27-36-13-6-4-7-14-36)74-54(86)33-73-57(89)47(28-37-15-8-5-9-16-37)78-63(95)51(34-82)81-62(94)50(31-53(67)85)80-60(92)48(29-39-32-72-43-18-11-10-17-41(39)43)79-61(93)49(30-52(66)84)77-56(88)42(65)26-38-20-22-40(83)23-21-38/h4-11,13-18,20-23,32,35,42,44-51,72,82-83H,12,19,24-31,33-34,65H2,1-3H3,(H2,66,84)(H2,67,85)(H2,68,87)(H,73,89)(H,74,86)(H,75,91)(H,76,90)(H,77,88)(H,78,95)(H,79,93)(H,80,92)(H,81,94)(H3,69,70,71)/t42-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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n/an/an/an/a 0.0230n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 22: 6328-32 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392490
PNG
(CHEMBL2152060)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C64H85N17O14/c1-35(2)25-46(59(91)75-44(19-11-12-24-71-64(69)70)58(90)76-45(55(68)87)27-36-13-5-3-6-14-36)74-54(86)33-73-57(89)47(28-37-15-7-4-8-16-37)78-63(95)51(34-82)81-62(94)50(31-53(67)85)80-60(92)48(29-39-32-72-43-18-10-9-17-41(39)43)79-61(93)49(30-52(66)84)77-56(88)42(65)26-38-20-22-40(83)23-21-38/h3-10,13-18,20-23,32,35,42,44-51,72,82-83H,11-12,19,24-31,33-34,65H2,1-2H3,(H2,66,84)(H2,67,85)(H2,68,87)(H,73,89)(H,74,86)(H,75,91)(H,76,90)(H,77,88)(H,78,95)(H,79,93)(H,80,92)(H,81,94)(H4,69,70,71)/t42-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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n/an/an/an/a 0.0290n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 22: 6328-32 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392486
PNG
(CHEMBL2152056)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C65H87N17O14/c1-36(2)26-47(60(92)75-45(20-13-25-71-65(70)82(3)4)59(91)76-46(56(69)88)28-37-14-7-5-8-15-37)74-55(87)34-73-58(90)48(29-38-16-9-6-10-17-38)78-64(96)52(35-83)81-63(95)51(32-54(68)86)80-61(93)49(30-40-33-72-44-19-12-11-18-42(40)44)79-62(94)50(31-53(67)85)77-57(89)43(66)27-39-21-23-41(84)24-22-39/h5-12,14-19,21-24,33,36,43,45-52,72,83-84H,13,20,25-32,34-35,66H2,1-4H3,(H2,67,85)(H2,68,86)(H2,69,88)(H2,70,71)(H,73,90)(H,74,87)(H,75,92)(H,76,91)(H,77,89)(H,78,96)(H,79,94)(H,80,93)(H,81,95)/t43-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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n/an/an/an/a 0.0390n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 22: 6328-32 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392402
PNG
(CHEMBL2151643)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=S)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C64H85N17O13S/c1-35(2)25-46(58(90)75-44(19-12-24-71-64(69)70-3)57(89)76-45(55(68)87)27-36-13-6-4-7-14-36)74-54(86)33-73-63(95)50(28-37-15-8-5-9-16-37)80-62(94)51(34-82)81-61(93)49(31-53(67)85)79-59(91)47(29-39-32-72-43-18-11-10-17-41(39)43)78-60(92)48(30-52(66)84)77-56(88)42(65)26-38-20-22-40(83)23-21-38/h4-11,13-18,20-23,32,35,42,44-51,72,82-83H,12,19,24-31,33-34,65H2,1-3H3,(H2,66,84)(H2,67,85)(H2,68,87)(H,73,95)(H,74,86)(H,75,90)(H,76,89)(H,77,88)(H,78,92)(H,79,91)(H,80,94)(H,81,93)(H3,69,70,71)/t42-,44+,45+,46+,47+,48+,49+,50+,51+/m1/s1
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n/an/an/an/a 0.0410n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis


Bioorg Med Chem Lett 22: 6391-6 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM26349
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C63H83N17O14/c1-34(2)24-45(58(90)74-43(18-11-23-70-63(68)69)57(89)75-44(54(67)86)26-35-12-5-3-6-13-35)73-53(85)32-72-56(88)46(27-36-14-7-4-8-15-36)77-62(94)50(33-81)80-61(93)49(30-52(66)84)79-59(91)47(28-38-31-71-42-17-10-9-16-40(38)42)78-60(92)48(29-51(65)83)76-55(87)41(64)25-37-19-21-39(82)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,71,81-82H,11,18,23-30,32-33,64H2,1-2H3,(H2,65,83)(H2,66,84)(H2,67,86)(H,72,88)(H,73,85)(H,74,90)(H,75,89)(H,76,87)(H,77,94)(H,78,92)(H,79,91)(H,80,93)(H4,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/an/an/a 0.0490n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis


Bioorg Med Chem Lett 22: 6391-6 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392405
PNG
(CHEMBL2151646)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C63H84N18O14/c1-34(2)25-45(56(89)72-43(19-12-24-70-62(68)69-3)55(88)73-44(53(67)86)27-35-13-6-4-7-14-35)79-63(95)81-80-61(94)46(28-36-15-8-5-9-16-36)75-60(93)50(33-82)78-59(92)49(31-52(66)85)77-57(90)47(29-38-32-71-42-18-11-10-17-40(38)42)76-58(91)48(30-51(65)84)74-54(87)41(64)26-37-20-22-39(83)23-21-37/h4-11,13-18,20-23,32,34,41,43-50,71,82-83H,12,19,24-31,33,64H2,1-3H3,(H2,65,84)(H2,66,85)(H2,67,86)(H,72,89)(H,73,88)(H,74,87)(H,75,93)(H,76,91)(H,77,90)(H,78,92)(H,80,94)(H3,68,69,70)(H2,79,81,95)/t41-,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1
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n/an/an/an/a 0.0500n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis


Bioorg Med Chem Lett 22: 6391-6 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392401
PNG
(CHEMBL2151642)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C64H85N17O14/c1-35(2)25-46(59(91)75-44(19-12-24-71-64(69)70-3)58(90)76-45(55(68)87)27-36-13-6-4-7-14-36)74-54(86)33-73-57(89)47(28-37-15-8-5-9-16-37)78-63(95)51(34-82)81-62(94)50(31-53(67)85)80-60(92)48(29-39-32-72-43-18-11-10-17-41(39)43)79-61(93)49(30-52(66)84)77-56(88)42(65)26-38-20-22-40(83)23-21-38/h4-11,13-18,20-23,32,35,42,44-51,72,82-83H,12,19,24-31,33-34,65H2,1-3H3,(H2,66,84)(H2,67,85)(H2,68,87)(H,73,89)(H,74,86)(H,75,91)(H,76,90)(H,77,88)(H,78,95)(H,79,93)(H,80,92)(H,81,94)(H3,69,70,71)/t42-,44+,45+,46+,47+,48+,49+,50+,51+/m1/s1
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n/an/an/an/a 0.0650n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis


Bioorg Med Chem Lett 22: 6391-6 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392488
PNG
(CHEMBL2152058)
Show SMILES CCNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C65H87N17O14/c1-4-71-65(70)72-25-13-20-45(59(91)77-46(56(69)88)28-37-14-7-5-8-15-37)76-60(92)47(26-36(2)3)75-55(87)34-74-58(90)48(29-38-16-9-6-10-17-38)79-64(96)52(35-83)82-63(95)51(32-54(68)86)81-61(93)49(30-40-33-73-44-19-12-11-18-42(40)44)80-62(94)50(31-53(67)85)78-57(89)43(66)27-39-21-23-41(84)24-22-39/h5-12,14-19,21-24,33,36,43,45-52,73,83-84H,4,13,20,25-32,34-35,66H2,1-3H3,(H2,67,85)(H2,68,86)(H2,69,88)(H,74,90)(H,75,87)(H,76,92)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,93)(H,82,95)(H3,70,71,72)/t43-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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n/an/an/an/a 0.0650n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 22: 6328-32 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM26349
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C63H83N17O14/c1-34(2)24-45(58(90)74-43(18-11-23-70-63(68)69)57(89)75-44(54(67)86)26-35-12-5-3-6-13-35)73-53(85)32-72-56(88)46(27-36-14-7-4-8-15-36)77-62(94)50(33-81)80-61(93)49(30-52(66)84)79-59(91)47(28-38-31-71-42-17-10-9-16-40(38)42)78-60(92)48(29-51(65)83)76-55(87)41(64)25-37-19-21-39(82)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,71,81-82H,11,18,23-30,32-33,64H2,1-2H3,(H2,65,83)(H2,66,84)(H2,67,86)(H,72,88)(H,73,85)(H,74,90)(H,75,89)(H,76,87)(H,77,94)(H,78,92)(H,79,91)(H,80,93)(H4,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/an/an/a 0.0650n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 22: 6328-32 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50082074
PNG
(CHEMBL3422408)
Show SMILES CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)n1cc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)nn1
Show InChI InChI=1/C66H85N19O15/c1-35(2)24-54(65(100)76-46(14-9-23-72-66(70)71)59(94)77-47(57(69)92)25-38-15-19-42(88)20-16-38)85-33-41(83-84-85)32-74-58(93)48(26-37-10-5-4-6-11-37)78-64(99)53(34-86)82-63(98)52(30-56(68)91)81-61(96)50(28-40-31-73-45-13-8-7-12-44(40)45)79-62(97)51(29-55(67)90)80-60(95)49(75-36(3)87)27-39-17-21-43(89)22-18-39/h4-8,10-13,15-22,31,33,35,46-54,73,86,88-89H,9,14,23-30,32,34H2,1-3H3,(H2,67,90)(H2,68,91)(H2,69,92)(H,74,93)(H,75,87)(H,76,100)(H,77,94)(H,78,99)(H,79,97)(H,80,95)(H,81,96)(H,82,98)(H4,70,71,72)/t46-,47-,48-,49-,50-,51-,52-,53-,54-/s2
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n/an/an/an/a 0.0700n/an/an/an/a



UMR7247; Universit£ Fran£ois Rabelais Tours; IFCE)

Curated by ChEMBL


Assay Description
Agonist activity at human wild-type KISS1R expressed in HEK293 cells assessed as induction of intracellular Ca2+ mobilization after 30 mins by Fluo4 ...


J Med Chem 58: 3459-70 (2015)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50082073
PNG
(CHEMBL3422407)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1/C65H85N17O16/c1-34(2)24-46(59(93)76-44(14-9-23-71-65(69)70)58(92)77-45(56(68)90)25-37-15-19-40(85)20-16-37)75-55(89)32-73-57(91)47(26-36-10-5-4-6-11-36)78-64(98)52(33-83)82-63(97)51(30-54(67)88)81-61(95)49(28-39-31-72-43-13-8-7-12-42(39)43)79-62(96)50(29-53(66)87)80-60(94)48(74-35(3)84)27-38-17-21-41(86)22-18-38/h4-8,10-13,15-22,31,34,44-52,72,83,85-86H,9,14,23-30,32-33H2,1-3H3,(H2,66,87)(H2,67,88)(H2,68,90)(H,73,91)(H,74,84)(H,75,89)(H,76,93)(H,77,92)(H,78,98)(H,79,96)(H,80,94)(H,81,95)(H,82,97)(H4,69,70,71)/t44-,45-,46-,47-,48-,49-,50-,51-,52-/s2
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UMR7247; Universit£ Fran£ois Rabelais Tours; IFCE)

Curated by ChEMBL


Assay Description
Agonist activity at human wild-type KISS1R expressed in HEK293 cells assessed as induction of intracellular Ca2+ mobilization after 30 mins by Fluo4 ...


J Med Chem 58: 3459-70 (2015)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392413
PNG
(CHEMBL2151654)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C63H84N18O14/c1-34(2)25-45(56(89)72-43(19-12-24-70-62(68)69-3)55(88)73-44(53(67)86)27-35-13-6-4-7-14-35)79-63(95)81-80-61(94)46(28-36-15-8-5-9-16-36)75-60(93)50(33-82)78-59(92)49(31-52(66)85)77-57(90)47(29-38-32-71-42-18-11-10-17-40(38)42)76-58(91)48(30-51(65)84)74-54(87)41(64)26-37-20-22-39(83)23-21-37/h4-11,13-18,20-23,32,34,41,43-50,71,82-83H,12,19,24-31,33,64H2,1-3H3,(H2,65,84)(H2,66,85)(H2,67,86)(H,72,89)(H,73,88)(H,74,87)(H,75,93)(H,76,91)(H,77,90)(H,78,92)(H,80,94)(H3,68,69,70)(H2,79,81,95)/t41-,43+,44+,45+,46+,47-,48+,49+,50+/m1/s1
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n/an/an/an/a 0.0720n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis


Bioorg Med Chem Lett 22: 6391-6 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50082068
PNG
(CHEMBL3422414)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1/C62H89N17O17/c1-33(2)25-44(57(92)74-42(14-10-24-69-62(66)67)55(90)75-43(53(65)88)26-37-15-19-39(83)20-16-37)72-52(87)31-70-54(89)45(27-36-11-6-5-7-12-36)76-61(96)49(32-80)79-60(95)48(30-51(64)86)77-56(91)41(13-8-9-23-68-34(3)81)73-59(94)47(29-50(63)85)78-58(93)46(71-35(4)82)28-38-17-21-40(84)22-18-38/h5-7,11-12,15-22,33,41-49,80,83-84H,8-10,13-14,23-32H2,1-4H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,68,81)(H,70,89)(H,71,82)(H,72,87)(H,73,94)(H,74,92)(H,75,90)(H,76,96)(H,77,91)(H,78,93)(H,79,95)(H4,66,67,69)/t41-,42-,43-,44-,45-,46-,47-,48-,49-/s2
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n/an/an/an/a 0.0800n/an/an/an/a



UMR7247; Universit£ Fran£ois Rabelais Tours; IFCE)

Curated by ChEMBL


Assay Description
Agonist activity at human wild-type KISS1R expressed in HEK293 cells assessed as induction of intracellular Ca2+ mobilization after 30 mins by Fluo4 ...


J Med Chem 58: 3459-70 (2015)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392412
PNG
(CHEMBL2151653)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C65H85N17O14/c1-36(2)27-47(58(90)73-45(19-12-26-72-64(70)71-3)57(89)74-46(55(69)87)30-37-13-6-4-7-14-37)80-65(96)82-81-63(95)49(31-38-15-8-5-9-16-38)77-62(94)52(35-83)79-61(93)51(34-54(68)86)78-59(91)48(32-40-20-23-41-17-10-11-18-42(41)28-40)76-60(92)50(33-53(67)85)75-56(88)44(66)29-39-21-24-43(84)25-22-39/h4-11,13-18,20-25,28,36,44-52,83-84H,12,19,26-27,29-35,66H2,1-3H3,(H2,67,85)(H2,68,86)(H2,69,87)(H,73,90)(H,74,89)(H,75,88)(H,76,92)(H,77,94)(H,78,91)(H,79,93)(H,81,95)(H3,70,71,72)(H2,80,82,96)/t44-,45+,46+,47+,48+,49+,50+,51+,52+/m1/s1
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n/an/an/an/a 0.0980n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis


Bioorg Med Chem Lett 22: 6391-6 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50082067
PNG
(CHEMBL3422413)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1/C69H93N17O16/c1-38(2)29-52(64(98)81-50(18-12-28-75-69(72)73)62(96)82-51(60(71)94)30-42-19-23-45(90)24-20-42)79-59(93)36-77-61(95)53(31-41-13-6-5-7-14-41)83-68(102)57(37-87)86-67(101)56(34-58(70)92)85-66(100)55(33-44-35-76-48-16-9-8-15-47(44)48)84-63(97)49(17-10-11-27-74-39(3)88)80-65(99)54(78-40(4)89)32-43-21-25-46(91)26-22-43/h5-9,13-16,19-26,35,38,49-57,76,87,90-91H,10-12,17-18,27-34,36-37H2,1-4H3,(H2,70,92)(H2,71,94)(H,74,88)(H,77,95)(H,78,89)(H,79,93)(H,80,99)(H,81,98)(H,82,96)(H,83,102)(H,84,97)(H,85,100)(H,86,101)(H4,72,73,75)/t49-,50-,51-,52-,53-,54-,55-,56-,57-/s2
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n/an/an/an/a 0.100n/an/an/an/a



UMR7247; Universit£ Fran£ois Rabelais Tours; IFCE)

Curated by ChEMBL


Assay Description
Agonist activity at human wild-type KISS1R expressed in HEK293 cells assessed as induction of intracellular Ca2+ mobilization after 30 mins by Fluo4 ...


J Med Chem 58: 3459-70 (2015)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392409
PNG
(CHEMBL2151650)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C61H89N17O14/c1-34(2)26-43(54(86)69-41(20-13-25-68-60(66)67-3)53(85)70-42(51(65)83)28-35-14-7-4-8-15-35)76-61(92)78-77-59(91)45(30-37-18-11-6-12-19-37)73-58(90)48(33-79)75-57(89)47(32-50(64)82)74-55(87)44(29-36-16-9-5-10-17-36)72-56(88)46(31-49(63)81)71-52(84)40(62)27-38-21-23-39(80)24-22-38/h4,6-8,11-12,14-15,18-19,21-24,34,36,40-48,79-80H,5,9-10,13,16-17,20,25-33,62H2,1-3H3,(H2,63,81)(H2,64,82)(H2,65,83)(H,69,86)(H,70,85)(H,71,84)(H,72,88)(H,73,90)(H,74,87)(H,75,89)(H,77,91)(H3,66,67,68)(H2,76,78,92)/t40-,41+,42+,43+,44+,45+,46+,47+,48+/m1/s1
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n/an/an/an/a 0.100n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis


Bioorg Med Chem Lett 22: 6391-6 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392411
PNG
(CHEMBL2151652)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C60H82N18O14/c1-33(2)25-42(53(86)69-40(15-10-22-68-59(65)66-3)52(85)70-41(50(64)83)27-34-11-6-4-7-12-34)76-60(92)78-77-58(91)44(28-35-13-8-5-9-14-35)73-57(90)47(32-79)75-56(89)46(31-49(63)82)74-54(87)43(29-37-20-23-67-24-21-37)72-55(88)45(30-48(62)81)71-51(84)39(61)26-36-16-18-38(80)19-17-36/h4-9,11-14,16-21,23-24,33,39-47,79-80H,10,15,22,25-32,61H2,1-3H3,(H2,62,81)(H2,63,82)(H2,64,83)(H,69,86)(H,70,85)(H,71,84)(H,72,88)(H,73,90)(H,74,87)(H,75,89)(H,77,91)(H3,65,66,68)(H2,76,78,92)/t39-,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1
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n/an/an/an/a 0.110n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis


Bioorg Med Chem Lett 22: 6391-6 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392491
PNG
(CHEMBL2152061)
Show SMILES CNC(N)=NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C65H87N17O14/c1-36(2)26-47(60(92)76-45(20-12-13-25-72-65(70)71-3)59(91)77-46(56(69)88)28-37-14-6-4-7-15-37)75-55(87)34-74-58(90)48(29-38-16-8-5-9-17-38)79-64(96)52(35-83)82-63(95)51(32-54(68)86)81-61(93)49(30-40-33-73-44-19-11-10-18-42(40)44)80-62(94)50(31-53(67)85)78-57(89)43(66)27-39-21-23-41(84)24-22-39/h4-11,14-19,21-24,33,36,43,45-52,73,83-84H,12-13,20,25-32,34-35,66H2,1-3H3,(H2,67,85)(H2,68,86)(H2,69,88)(H,74,90)(H,75,87)(H,76,92)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,93)(H,82,95)(H3,70,71,72)/t43-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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n/an/an/an/a 0.130n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 22: 6328-32 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392408
PNG
(CHEMBL2151649)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)NC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C58H85N17O14/c1-6-32(4)47(73-53(85)43(29-46(61)79)68-49(81)37(59)25-35-19-21-36(77)22-20-35)56(88)70-42(28-45(60)78)52(84)71-44(30-76)54(86)69-41(27-34-16-11-8-12-17-34)55(87)74-75-58(89)72-40(24-31(2)3)51(83)66-38(18-13-23-65-57(63)64-5)50(82)67-39(48(62)80)26-33-14-9-7-10-15-33/h7-12,14-17,19-22,31-32,37-44,47,76-77H,6,13,18,23-30,59H2,1-5H3,(H2,60,78)(H2,61,79)(H2,62,80)(H,66,83)(H,67,82)(H,68,81)(H,69,86)(H,70,88)(H,71,84)(H,73,85)(H,74,87)(H3,63,64,65)(H2,72,75,89)/t32-,37+,38-,39-,40-,41-,42-,43-,44-,47-/m0/s1
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n/an/an/an/a 0.130n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis


Bioorg Med Chem Lett 22: 6391-6 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392492
PNG
(CHEMBL2152062)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C62H81N17O14/c1-33(2)23-44(57(89)73-42(21-22-69-62(67)68)56(88)74-43(53(66)85)25-34-11-5-3-6-12-34)72-52(84)31-71-55(87)45(26-35-13-7-4-8-14-35)76-61(93)49(32-80)79-60(92)48(29-51(65)83)78-58(90)46(27-37-30-70-41-16-10-9-15-39(37)41)77-59(91)47(28-50(64)82)75-54(86)40(63)24-36-17-19-38(81)20-18-36/h3-20,30,33,40,42-49,70,80-81H,21-29,31-32,63H2,1-2H3,(H2,64,82)(H2,65,83)(H2,66,85)(H,71,87)(H,72,84)(H,73,89)(H,74,88)(H,75,86)(H,76,93)(H,77,91)(H,78,90)(H,79,92)(H4,67,68,69)/t40-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/an/an/a 0.150n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 22: 6328-32 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392407
PNG
(CHEMBL2151648)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H81N17O15/c1-29(2)22-38(49(82)64-36(16-11-21-63-55(61)62-4)48(81)65-37(46(60)79)24-31-12-7-5-8-13-31)70-56(88)73-72-53(86)39(25-32-14-9-6-10-15-32)67-52(85)42(28-74)69-50(83)40(26-43(58)77)68-54(87)45(30(3)75)71-51(84)41(27-44(59)78)66-47(80)35(57)23-33-17-19-34(76)20-18-33/h5-10,12-15,17-20,29-30,35-42,45,74-76H,11,16,21-28,57H2,1-4H3,(H2,58,77)(H2,59,78)(H2,60,79)(H,64,82)(H,65,81)(H,66,80)(H,67,85)(H,68,87)(H,69,83)(H,71,84)(H,72,86)(H3,61,62,63)(H2,70,73,88)/t30-,35-,36+,37+,38+,39+,40+,41+,42+,45+/m1/s1
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n/an/an/an/a 0.240n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis


Bioorg Med Chem Lett 22: 6391-6 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392410
PNG
(CHEMBL2151651)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C60H82N18O14/c1-33(2)24-42(53(86)69-40(17-11-23-68-59(65)66-3)52(85)70-41(50(64)83)26-34-12-6-4-7-13-34)76-60(92)78-77-58(91)44(27-35-14-8-5-9-15-35)73-57(90)47(32-79)75-56(89)46(30-49(63)82)74-54(87)43(28-37-16-10-22-67-31-37)72-55(88)45(29-48(62)81)71-51(84)39(61)25-36-18-20-38(80)21-19-36/h4-10,12-16,18-22,31,33,39-47,79-80H,11,17,23-30,32,61H2,1-3H3,(H2,62,81)(H2,63,82)(H2,64,83)(H,69,86)(H,70,85)(H,71,84)(H,72,88)(H,73,90)(H,74,87)(H,75,89)(H,77,91)(H3,65,66,68)(H2,76,78,92)/t39-,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1
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n/an/an/an/a 0.240n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis


Bioorg Med Chem Lett 22: 6391-6 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392482
PNG
(CHEMBL2152052)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C63H83N15O14/c1-35(2)25-46(59(88)72-44(19-11-12-24-64)58(87)73-45(55(68)84)27-36-13-5-3-6-14-36)71-54(83)33-70-57(86)47(28-37-15-7-4-8-16-37)75-63(92)51(34-79)78-62(91)50(31-53(67)82)77-60(89)48(29-39-32-69-43-18-10-9-17-41(39)43)76-61(90)49(30-52(66)81)74-56(85)42(65)26-38-20-22-40(80)23-21-38/h3-10,13-18,20-23,32,35,42,44-51,69,79-80H,11-12,19,24-31,33-34,64-65H2,1-2H3,(H2,66,81)(H2,67,82)(H2,68,84)(H,70,86)(H,71,83)(H,72,88)(H,73,87)(H,74,85)(H,75,92)(H,76,90)(H,77,89)(H,78,91)/t42-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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n/an/an/an/a 0.270n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 22: 6328-32 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392484
PNG
(CHEMBL2152054)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C62H81N15O14/c1-34(2)24-45(58(87)71-43(18-11-23-63)57(86)72-44(54(67)83)26-35-12-5-3-6-13-35)70-53(82)32-69-56(85)46(27-36-14-7-4-8-15-36)74-62(91)50(33-78)77-61(90)49(30-52(66)81)76-59(88)47(28-38-31-68-42-17-10-9-16-40(38)42)75-60(89)48(29-51(65)80)73-55(84)41(64)25-37-19-21-39(79)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,68,78-79H,11,18,23-30,32-33,63-64H2,1-2H3,(H2,65,80)(H2,66,81)(H2,67,83)(H,69,85)(H,70,82)(H,71,87)(H,72,86)(H,73,84)(H,74,91)(H,75,89)(H,76,88)(H,77,90)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/an/an/a 0.290n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 22: 6328-32 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50045506
PNG
(CHEMBL3314223)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C62H80N16O12/c1-34(2)27-47(56(85)71-45(19-12-26-67-61(65)66-4)55(84)72-46(54(64)83)29-38-32-68-43-17-10-8-15-41(38)43)75-62(90)78-77-59(88)48(28-37-13-6-5-7-14-37)74-60(89)53(35(3)79)76-58(87)50(31-51(63)81)73-57(86)49(30-39-33-69-44-18-11-9-16-42(39)44)70-52(82)25-22-36-20-23-40(80)24-21-36/h5-11,13-18,20-21,23-24,32-35,45-50,53,68-69,79-80H,12,19,22,25-31H2,1-4H3,(H2,63,81)(H2,64,83)(H,70,82)(H,71,85)(H,72,84)(H,73,86)(H,74,89)(H,76,87)(H,77,88)(H3,65,66,67)(H2,75,78,90)/t35-,45+,46+,47+,48+,49-,50+,53+/s2
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n/an/an/an/a 0.300n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay


J Med Chem 57: 6105-15 (2014)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50045500
PNG
(CHEMBL3314217)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C63H83N17O11/c1-34(2)26-48(57(86)72-46(20-13-25-69-62(67)68-5)56(85)73-47(54(66)83)29-38-32-70-44-18-11-9-16-41(38)44)77-63(91)80-79-60(89)49(28-36-14-7-6-8-15-36)76-61(90)53(35(3)4)78-59(88)51(31-52(65)82)75-58(87)50(30-39-33-71-45-19-12-10-17-42(39)45)74-55(84)43(64)27-37-21-23-40(81)24-22-37/h6-12,14-19,21-24,32-35,43,46-51,53,70-71,81H,13,20,25-31,64H2,1-5H3,(H2,65,82)(H2,66,83)(H,72,86)(H,73,85)(H,74,84)(H,75,87)(H,76,90)(H,78,88)(H,79,89)(H3,67,68,69)(H2,77,80,91)/t43-,46+,47+,48+,49+,50-,51+,53+/s2
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n/an/an/an/a 0.310n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay


J Med Chem 57: 6105-15 (2014)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392487
PNG
(CHEMBL2152057)
Show SMILES CNC(NC)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C65H87N17O14/c1-36(2)26-47(60(92)76-45(20-13-25-72-65(70-3)71-4)59(91)77-46(56(69)88)28-37-14-7-5-8-15-37)75-55(87)34-74-58(90)48(29-38-16-9-6-10-17-38)79-64(96)52(35-83)82-63(95)51(32-54(68)86)81-61(93)49(30-40-33-73-44-19-12-11-18-42(40)44)80-62(94)50(31-53(67)85)78-57(89)43(66)27-39-21-23-41(84)24-22-39/h5-12,14-19,21-24,33,36,43,45-52,73,83-84H,13,20,25-32,34-35,66H2,1-4H3,(H2,67,85)(H2,68,86)(H2,69,88)(H,74,90)(H,75,87)(H,76,92)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,93)(H,82,95)(H2,70,71,72)/t43-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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n/an/an/an/a 0.320n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 22: 6328-32 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50045507
PNG
(CHEMBL3314224)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C64H83N17O13/c1-34(2)26-48(57(88)73-46(20-13-25-69-63(67)68-5)56(87)74-47(55(66)86)29-39-32-70-44-18-11-9-16-42(39)44)78-64(94)81-80-61(92)50(27-37-14-7-6-8-15-37)77-62(93)54(35(3)82)79-60(91)52(31-53(65)85)76-59(90)51(30-40-33-71-45-19-12-10-17-43(40)45)75-58(89)49(72-36(4)83)28-38-21-23-41(84)24-22-38/h6-12,14-19,21-24,32-35,46-52,54,70-71,82,84H,13,20,25-31H2,1-5H3,(H2,65,85)(H2,66,86)(H,72,83)(H,73,88)(H,74,87)(H,75,89)(H,76,90)(H,77,93)(H,79,91)(H,80,92)(H3,67,68,69)(H2,78,81,94)/t35-,46+,47+,48+,49-,50+,51-,52+,54+/s2
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n/an/an/an/a 0.330n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay


J Med Chem 57: 6105-15 (2014)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392494
PNG
(CHEMBL2152064)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C65H87N15O14/c1-37(2)27-48(61(90)73-46(21-13-14-26-80(3)4)60(89)74-47(57(69)86)29-38-15-7-5-8-16-38)72-56(85)35-71-59(88)49(30-39-17-9-6-10-18-39)76-65(94)53(36-81)79-64(93)52(33-55(68)84)78-62(91)50(31-41-34-70-45-20-12-11-19-43(41)45)77-63(92)51(32-54(67)83)75-58(87)44(66)28-40-22-24-42(82)25-23-40/h5-12,15-20,22-25,34,37,44,46-53,70,81-82H,13-14,21,26-33,35-36,66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,71,88)(H,72,85)(H,73,90)(H,74,89)(H,75,87)(H,76,94)(H,77,92)(H,78,91)(H,79,93)/t44-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
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n/an/an/an/a 0.330n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 22: 6328-32 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392493
PNG
(CHEMBL2152063)
Show SMILES CNC(N)=NCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C63H83N17O14/c1-34(2)24-45(58(90)74-43(22-23-70-63(68)69-3)57(89)75-44(54(67)86)26-35-12-6-4-7-13-35)73-53(85)32-72-56(88)46(27-36-14-8-5-9-15-36)77-62(94)50(33-81)80-61(93)49(30-52(66)84)79-59(91)47(28-38-31-71-42-17-11-10-16-40(38)42)78-60(92)48(29-51(65)83)76-55(87)41(64)25-37-18-20-39(82)21-19-37/h4-21,31,34,41,43-50,71,81-82H,22-30,32-33,64H2,1-3H3,(H2,65,83)(H2,66,84)(H2,67,86)(H,72,88)(H,73,85)(H,74,90)(H,75,89)(H,76,87)(H,77,94)(H,78,92)(H,79,91)(H,80,93)(H3,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/an/an/a 0.340n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 22: 6328-32 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392489
PNG
(CHEMBL2152059)
Show SMILES CCCNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C66H89N17O14/c1-4-25-72-66(71)73-26-13-20-46(60(92)78-47(57(70)89)29-38-14-7-5-8-15-38)77-61(93)48(27-37(2)3)76-56(88)35-75-59(91)49(30-39-16-9-6-10-17-39)80-65(97)53(36-84)83-64(96)52(33-55(69)87)82-62(94)50(31-41-34-74-45-19-12-11-18-43(41)45)81-63(95)51(32-54(68)86)79-58(90)44(67)28-40-21-23-42(85)24-22-40/h5-12,14-19,21-24,34,37,44,46-53,74,84-85H,4,13,20,25-33,35-36,67H2,1-3H3,(H2,68,86)(H2,69,87)(H2,70,89)(H,75,91)(H,76,88)(H,77,93)(H,78,92)(H,79,90)(H,80,97)(H,81,95)(H,82,94)(H,83,96)(H3,71,72,73)/t44-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
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n/an/an/an/a 0.360n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 22: 6328-32 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50045514
PNG
(CHEMBL3315315)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C65H84N18O14/c1-34(2)23-47(60(93)77-45(17-10-22-72-65(70)71)59(92)78-46(56(69)89)26-37-30-73-43-15-8-6-13-40(37)43)76-55(88)32-75-58(91)48(25-35-11-4-3-5-12-35)80-64(97)52(33-84)83-63(96)51(29-54(68)87)82-61(94)49(27-38-31-74-44-16-9-7-14-41(38)44)81-62(95)50(28-53(67)86)79-57(90)42(66)24-36-18-20-39(85)21-19-36/h3-9,11-16,18-21,30-31,34,42,45-52,73-74,84-85H,10,17,22-29,32-33,66H2,1-2H3,(H2,67,86)(H2,68,87)(H2,69,89)(H,75,91)(H,76,88)(H,77,93)(H,78,92)(H,79,90)(H,80,97)(H,81,95)(H,82,94)(H,83,96)(H4,70,71,72)/t42-,45-,46-,47-,48-,49-,50-,51-,52-/s2
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n/an/an/an/a 0.440n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay


J Med Chem 57: 6105-15 (2014)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50045510
PNG
(CHEMBL3314227)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C69H85N17O13/c1-38(2)30-52(62(93)77-50(24-15-29-74-68(72)73-4)61(92)78-51(59(71)90)33-43-36-75-48-22-13-11-20-46(43)48)83-69(99)86-85-66(97)54(31-40-16-7-5-8-17-40)82-67(98)58(39(3)87)84-65(96)56(35-57(70)89)81-64(95)55(34-44-37-76-49-23-14-12-21-47(44)49)80-63(94)53(32-41-25-27-45(88)28-26-41)79-60(91)42-18-9-6-10-19-42/h5-14,16-23,25-28,36-39,50-56,58,75-76,87-88H,15,24,29-35H2,1-4H3,(H2,70,89)(H2,71,90)(H,77,93)(H,78,92)(H,79,91)(H,80,94)(H,81,95)(H,82,98)(H,84,96)(H,85,97)(H3,72,73,74)(H2,83,86,99)/t39-,50+,51+,52+,53-,54+,55-,56+,58+/s2
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n/an/an/an/a 0.440n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay


J Med Chem 57: 6105-15 (2014)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50045503
PNG
(CHEMBL3314220)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C60H78N16O11/c1-33(2)25-47(56(84)69-45(19-12-24-65-59(63)64-4)54(82)70-46(51(62)79)28-37-30-66-43-17-10-8-15-40(37)43)74-60(87)76-75-58(86)48(27-35-13-6-5-7-14-35)72-57(85)50(32-77)73-52(80)34(3)68-55(83)49(29-38-31-67-44-18-11-9-16-41(38)44)71-53(81)42(61)26-36-20-22-39(78)23-21-36/h5-11,13-18,20-23,30-31,33-34,42,45-50,66-67,77-78H,12,19,24-29,32,61H2,1-4H3,(H2,62,79)(H,68,83)(H,69,84)(H,70,82)(H,71,81)(H,72,85)(H,73,80)(H,75,86)(H3,63,64,65)(H2,74,76,87)/t34-,42+,45-,46-,47-,48-,49+,50-/s2
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n/an/an/an/a 0.490n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay


J Med Chem 57: 6105-15 (2014)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50045498
PNG
(CHEMBL3314215)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C61H79N17O12/c1-33(2)24-46(55(85)70-44(18-11-23-67-60(65)66-3)54(84)71-45(52(64)82)27-36-30-68-42-16-9-7-14-39(36)42)76-61(90)78-77-59(89)47(26-34-12-5-4-6-13-34)73-58(88)50(32-79)75-57(87)49(29-51(63)81)74-56(86)48(28-37-31-69-43-17-10-8-15-40(37)43)72-53(83)41(62)25-35-19-21-38(80)22-20-35/h4-10,12-17,19-22,30-31,33,41,44-50,68-69,79-80H,11,18,23-29,32,62H2,1-3H3,(H2,63,81)(H2,64,82)(H,70,85)(H,71,84)(H,72,83)(H,73,88)(H,74,86)(H,75,87)(H,77,89)(H3,65,66,67)(H2,76,78,90)/t41-,44+,45+,46+,47+,48-,49+,50+/s2
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n/an/an/an/a 0.510n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay


J Med Chem 57: 6105-15 (2014)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50045521
PNG
(CHEMBL3314212)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C66H82N18O11/c1-37(2)28-51(60(90)76-49(18-11-25-73-65(70)71-3)59(89)77-50(57(69)87)32-41-35-74-47-16-9-7-14-44(41)47)82-66(95)84-83-64(94)53(30-38-12-5-4-6-13-38)79-62(92)54(33-42-36-75-48-17-10-8-15-45(42)48)80-63(93)55(34-56(68)86)81-61(91)52(31-40-23-26-72-27-24-40)78-58(88)46(67)29-39-19-21-43(85)22-20-39/h4-10,12-17,19-24,26-27,35-37,46,49-55,74-75,85H,11,18,25,28-34,67H2,1-3H3,(H2,68,86)(H2,69,87)(H,76,90)(H,77,89)(H,78,88)(H,79,92)(H,80,93)(H,81,91)(H,83,94)(H3,70,71,73)(H2,82,84,95)/t46-,49+,50+,51+,52-,53+,54+,55+/s2
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n/an/an/an/a 0.590n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay


J Med Chem 57: 6105-15 (2014)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392414
PNG
(CHEMBL2151655)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C60H82N18O14/c1-33(2)25-42(53(86)69-40(15-10-22-68-59(65)66-3)52(85)70-41(50(64)83)27-34-11-6-4-7-12-34)76-60(92)78-77-58(91)44(28-35-13-8-5-9-14-35)73-57(90)47(32-79)75-56(89)46(31-49(63)82)74-54(87)43(29-37-20-23-67-24-21-37)72-55(88)45(30-48(62)81)71-51(84)39(61)26-36-16-18-38(80)19-17-36/h4-9,11-14,16-21,23-24,33,39-47,79-80H,10,15,22,25-32,61H2,1-3H3,(H2,62,81)(H2,63,82)(H2,64,83)(H,69,86)(H,70,85)(H,71,84)(H,72,88)(H,73,90)(H,74,87)(H,75,89)(H,77,91)(H3,65,66,68)(H2,76,78,92)/t39-,40+,41+,42+,43-,44+,45+,46+,47+/m1/s1
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n/an/an/an/a 0.590n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis


Bioorg Med Chem Lett 22: 6391-6 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50082076
PNG
(CHEMBL3422409)
Show SMILES CC(C)C[C@H](NC(=O)Cn1cc(nn1)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1/C66H85N19O15/c1-35(2)24-48(60(95)76-45(14-9-23-72-66(70)71)59(94)78-47(58(69)93)26-38-15-19-41(88)20-16-38)75-57(92)33-85-32-53(83-84-85)46(25-37-10-5-4-6-11-37)77-65(100)54(34-86)82-64(99)52(30-56(68)91)81-62(97)50(28-40-31-73-44-13-8-7-12-43(40)44)79-63(98)51(29-55(67)90)80-61(96)49(74-36(3)87)27-39-17-21-42(89)22-18-39/h4-8,10-13,15-22,31-32,35,45-52,54,73,86,88-89H,9,14,23-30,33-34H2,1-3H3,(H2,67,90)(H2,68,91)(H2,69,93)(H,74,87)(H,75,92)(H,76,95)(H,77,100)(H,78,94)(H,79,98)(H,80,96)(H,81,97)(H,82,99)(H4,70,71,72)/t45-,46-,47-,48-,49-,50-,51-,52-,54-/s2
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n/an/an/an/a 0.600n/an/an/an/a



UMR7247; Universit£ Fran£ois Rabelais Tours; IFCE)

Curated by ChEMBL


Assay Description
Agonist activity at human wild-type KISS1R expressed in HEK293 cells assessed as induction of intracellular Ca2+ mobilization after 30 mins by Fluo4 ...


J Med Chem 58: 3459-70 (2015)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392403
PNG
(CHEMBL2151644)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C64H87N17O13/c1-36(2)25-48(59(90)76-46(19-12-24-72-64(69)70-3)58(89)77-47(56(68)87)28-38-15-8-5-9-16-38)75-55(86)34-71-33-41(26-37-13-6-4-7-14-37)74-63(94)52(35-82)81-62(93)51(31-54(67)85)80-60(91)49(29-40-32-73-45-18-11-10-17-43(40)45)79-61(92)50(30-53(66)84)78-57(88)44(65)27-39-20-22-42(83)23-21-39/h4-11,13-18,20-23,32,36,41,44,46-52,71,73,82-83H,12,19,24-31,33-35,65H2,1-3H3,(H2,66,84)(H2,67,85)(H2,68,87)(H,74,94)(H,75,86)(H,76,90)(H,77,89)(H,78,88)(H,79,92)(H,80,91)(H,81,93)(H3,69,70,72)/t41-,44+,46-,47-,48-,49-,50-,51-,52-/m0/s1
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n/an/an/an/a 0.620n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis


Bioorg Med Chem Lett 22: 6391-6 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50045504
PNG
(CHEMBL3314221)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C61H80N16O11/c1-33(2)26-48(57(85)70-46(20-13-25-66-60(64)65-5)55(83)71-47(52(63)80)29-38-31-67-44-18-11-9-16-41(38)44)74-61(88)77-76-58(86)49(28-36-14-7-6-8-15-36)73-59(87)51(35(4)78)75-53(81)34(3)69-56(84)50(30-39-32-68-45-19-12-10-17-42(39)45)72-54(82)43(62)27-37-21-23-40(79)24-22-37/h6-12,14-19,21-24,31-35,43,46-51,67-68,78-79H,13,20,25-30,62H2,1-5H3,(H2,63,80)(H,69,84)(H,70,85)(H,71,83)(H,72,82)(H,73,87)(H,75,81)(H,76,86)(H3,64,65,66)(H2,74,77,88)/t34-,35+,43+,46-,47-,48-,49-,50+,51-/s2
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n/an/an/an/a 0.630n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay


J Med Chem 57: 6105-15 (2014)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50045505
PNG
(CHEMBL3314222)
Show SMILES CC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C61H80N16O11/c1-5-43(69-57(85)50(30-38-32-68-45-19-12-10-17-41(38)45)72-53(81)42(62)27-36-21-23-39(79)24-22-36)54(82)74-51(33-78)58(86)73-49(28-35-14-7-6-8-15-35)59(87)76-77-61(88)75-48(26-34(2)3)56(84)70-46(20-13-25-66-60(64)65-4)55(83)71-47(52(63)80)29-37-31-67-44-18-11-9-16-40(37)44/h6-12,14-19,21-24,31-32,34,42-43,46-51,67-68,78-79H,5,13,20,25-30,33,62H2,1-4H3,(H2,63,80)(H,69,85)(H,70,84)(H,71,83)(H,72,81)(H,73,86)(H,74,82)(H,76,87)(H3,64,65,66)(H2,75,77,88)/t42-,43+,46+,47+,48+,49+,50-,51+/s2
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n/an/an/an/a 0.640n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay


J Med Chem 57: 6105-15 (2014)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM26338
PNG
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H51FN10O6/c1-24(2)19-33(49-35(53)23-48-38(56)34(20-25-9-4-3-5-10-25)52-37(55)26-14-16-28(42)17-15-26)40(58)50-31(13-8-18-46-41(44)45)39(57)51-32(36(43)54)21-27-22-47-30-12-7-6-11-29(27)30/h3-7,9-12,14-17,22,24,31-34,47H,8,13,18-21,23H2,1-2H3,(H2,43,54)(H,48,56)(H,49,53)(H,50,58)(H,51,57)(H,52,55)(H4,44,45,46)/t31-,32-,33-,34-/m0/s1
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n/an/an/an/a 0.690n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 50: 3222-8 (2007)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50045501
PNG
(CHEMBL3314218)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C57H76N16O11/c1-32(2)25-44(53(81)66-42(15-10-22-63-56(60)61-4)51(79)67-43(48(59)76)29-37-30-64-41-14-9-8-13-39(37)41)71-57(84)73-72-55(83)46(27-34-11-6-5-7-12-34)69-54(82)47(31-74)70-49(77)33(3)65-52(80)45(28-36-20-23-62-24-21-36)68-50(78)40(58)26-35-16-18-38(75)19-17-35/h5-9,11-14,16-21,23-24,30,32-33,40,42-47,64,74-75H,10,15,22,25-29,31,58H2,1-4H3,(H2,59,76)(H,65,80)(H,66,81)(H,67,79)(H,68,78)(H,69,82)(H,70,77)(H,72,83)(H3,60,61,63)(H2,71,73,84)/t33-,40+,42-,43-,44-,45+,46-,47-/s2
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n/an/an/an/a 0.700n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay


J Med Chem 57: 6105-15 (2014)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50392406
PNG
(CHEMBL2151647)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H79N17O15/c1-29(2)21-37(48(81)63-35(15-10-20-62-54(60)61-3)47(80)64-36(45(59)78)23-30-11-6-4-7-12-30)70-55(87)72-71-53(86)38(24-31-13-8-5-9-14-31)66-51(84)41(27-73)69-50(83)40(26-44(58)77)67-52(85)42(28-74)68-49(82)39(25-43(57)76)65-46(79)34(56)22-32-16-18-33(75)19-17-32/h4-9,11-14,16-19,29,34-42,73-75H,10,15,20-28,56H2,1-3H3,(H2,57,76)(H2,58,77)(H2,59,78)(H,63,81)(H,64,80)(H,65,79)(H,66,84)(H,67,85)(H,68,82)(H,69,83)(H,71,86)(H3,60,61,62)(H2,70,72,87)/t34-,35+,36+,37+,38+,39+,40+,41+,42+/m1/s1
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n/an/an/an/a 0.730n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis


Bioorg Med Chem Lett 22: 6391-6 (2012)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50045511
PNG
(CHEMBL3314228)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C61H81N17O13/c1-33(2)26-45(54(85)70-43(16-11-23-67-60(64)65-5)53(84)71-44(52(63)83)30-39-32-68-42-15-10-9-14-41(39)42)75-61(91)78-77-58(89)48(27-36-12-7-6-8-13-36)74-59(90)51(34(3)79)76-57(88)49(31-50(62)82)73-56(87)47(29-38-21-24-66-25-22-38)72-55(86)46(69-35(4)80)28-37-17-19-40(81)20-18-37/h6-10,12-15,17-22,24-25,32-34,43-49,51,68,79,81H,11,16,23,26-31H2,1-5H3,(H2,62,82)(H2,63,83)(H,69,80)(H,70,85)(H,71,84)(H,72,86)(H,73,87)(H,74,90)(H,76,88)(H,77,89)(H3,64,65,67)(H2,75,78,91)/t34-,43+,44+,45+,46-,47-,48+,49+,51+/s2
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PubMed
n/an/an/an/a 0.75n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay


J Med Chem 57: 6105-15 (2014)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50045508
PNG
(CHEMBL3314225)
Show SMILES CCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C66H87N17O13/c1-6-15-55(87)74-50(30-39-23-25-42(85)26-24-39)60(91)77-52(32-41-35-73-46-21-13-11-19-44(41)46)61(92)78-53(33-54(67)86)62(93)81-56(37(4)84)64(95)79-51(29-38-16-8-7-9-17-38)63(94)82-83-66(96)80-49(28-36(2)3)59(90)75-47(22-14-27-71-65(69)70-5)58(89)76-48(57(68)88)31-40-34-72-45-20-12-10-18-43(40)45/h7-13,16-21,23-26,34-37,47-53,56,72-73,84-85H,6,14-15,22,27-33H2,1-5H3,(H2,67,86)(H2,68,88)(H,74,87)(H,75,90)(H,76,89)(H,77,91)(H,78,92)(H,79,95)(H,81,93)(H,82,94)(H3,69,70,71)(H2,80,83,96)/t37-,47+,48+,49+,50-,51+,52-,53+,56+/s2
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PubMed
n/an/an/an/a 0.800n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay


J Med Chem 57: 6105-15 (2014)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50216079
PNG
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C40H51N11O6/c1-24(2)19-32(48-34(52)23-47-36(54)33(20-25-11-4-3-5-12-25)51-37(55)29-15-8-9-17-44-29)39(57)49-30(16-10-18-45-40(42)43)38(56)50-31(35(41)53)21-26-22-46-28-14-7-6-13-27(26)28/h3-9,11-15,17,22,24,30-33,46H,10,16,18-21,23H2,1-2H3,(H2,41,53)(H,47,54)(H,48,52)(H,49,57)(H,50,56)(H,51,55)(H4,42,43,45)/t30-,31-,32-,33-/m0/s1
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n/an/an/an/a 0.800n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 50: 3222-8 (2007)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50045509
PNG
(CHEMBL3314226)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1CC1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C66H85N17O13/c1-35(2)27-49(59(90)74-47(19-12-26-71-65(69)70-4)58(89)75-48(56(68)87)30-40-33-72-45-17-10-8-15-43(40)45)80-66(96)83-82-63(94)51(28-37-13-6-5-7-14-37)79-64(95)55(36(3)84)81-62(93)53(32-54(67)86)78-61(92)52(31-41-34-73-46-18-11-9-16-44(41)46)77-60(91)50(76-57(88)39-22-23-39)29-38-20-24-42(85)25-21-38/h5-11,13-18,20-21,24-25,33-36,39,47-53,55,72-73,84-85H,12,19,22-23,26-32H2,1-4H3,(H2,67,86)(H2,68,87)(H,74,90)(H,75,89)(H,76,88)(H,77,91)(H,78,92)(H,79,95)(H,81,93)(H,82,94)(H3,69,70,71)(H2,80,83,96)/t36-,47+,48+,49+,50-,51+,52-,53+,55+/s2
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n/an/an/an/a 0.820n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay


J Med Chem 57: 6105-15 (2014)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50045515
PNG
(CHEMBL3314207)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C58H77N17O12/c1-32(2)24-43(52(82)67-41(14-9-21-65-57(62)63-3)51(81)68-42(49(61)79)28-36-30-66-40-13-8-7-12-38(36)40)73-58(87)75-74-56(86)45(26-33-10-5-4-6-11-33)70-55(85)47(31-76)72-54(84)46(29-48(60)78)71-53(83)44(27-35-19-22-64-23-20-35)69-50(80)39(59)25-34-15-17-37(77)18-16-34/h4-8,10-13,15-20,22-23,30,32,39,41-47,66,76-77H,9,14,21,24-29,31,59H2,1-3H3,(H2,60,78)(H2,61,79)(H,67,82)(H,68,81)(H,69,80)(H,70,85)(H,71,83)(H,72,84)(H,74,86)(H3,62,63,65)(H2,73,75,87)/t39-,41+,42+,43+,44-,45+,46+,47+/s2
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PubMed
n/an/an/an/a 0.870n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay


J Med Chem 57: 6105-15 (2014)

More data for this
Ligand-Target Pair
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