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Compile Data Set for Download or QSAR

Found 62 hits of ec50 data for polymerid = 50004527   
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
KiSS-1 receptor


(Rattus norvegicus)
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=1S/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+/m1/s1
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n/an/an/an/a 1.10n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196431
PNG
(CHEMBL3949159)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1cccc(F)c1)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=1S/C64H82FN17O13/c1-33(2)24-48(57(89)74-46(18-11-23-70-63(68)69-5)56(88)75-47(55(67)87)28-38-31-71-44-16-8-6-14-42(38)44)79-64(95)82-81-61(93)50(27-37-12-10-13-40(65)25-37)78-62(94)54(34(3)83)80-60(92)52(30-53(66)86)77-59(91)51(29-39-32-72-45-17-9-7-15-43(39)45)76-58(90)49(73-35(4)84)26-36-19-21-41(85)22-20-36/h6-10,12-17,19-22,25,31-34,46-52,54,71-72,83,85H,11,18,23-24,26-30H2,1-5H3,(H2,66,86)(H2,67,87)(H,73,84)(H,74,89)(H,75,88)(H,76,90)(H,77,91)(H,78,94)(H,80,92)(H,81,93)(H3,68,69,70)(H2,79,82,95)/t34-,46+,47+,48+,49-,50+,51+,52+,54+/m1/s1
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n/an/an/an/a 1.20n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
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=1S/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+/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
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=1S/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+/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
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=1S/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-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
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=1S/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+/m1/s1
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n/an/an/an/a 1.70n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196438
PNG
(CHEMBL3928465)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1F)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=1S/C64H82FN17O13/c1-33(2)25-48(57(89)74-46(19-12-24-70-63(68)69-5)56(88)75-47(55(67)87)28-38-31-71-44-17-10-7-14-41(38)44)79-64(95)82-81-61(93)51(27-37-13-6-9-16-43(37)65)78-62(94)54(34(3)83)80-60(92)52(30-53(66)86)77-59(91)50(29-39-32-72-45-18-11-8-15-42(39)45)76-58(90)49(73-35(4)84)26-36-20-22-40(85)23-21-36/h6-11,13-18,20-23,31-34,46-52,54,71-72,83,85H,12,19,24-30H2,1-5H3,(H2,66,86)(H2,67,87)(H,73,84)(H,74,89)(H,75,88)(H,76,90)(H,77,91)(H,78,94)(H,80,92)(H,81,93)(H3,68,69,70)(H2,79,82,95)/t34-,46+,47+,48+,49-,50-,51+,52+,54+/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
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=1S/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+/m1/s1
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n/an/an/an/a 2.20n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
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=1S/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+/m1/s1
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n/an/an/an/a 2.30n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196482
PNG
(CHEMBL3921327)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccc(Cl)cc1)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=1S/C64H82ClN17O13/c1-33(2)25-48(57(89)74-46(15-10-24-70-63(68)69-5)56(88)75-47(55(67)87)28-38-31-71-44-13-8-6-11-42(38)44)79-64(95)82-81-61(93)50(27-36-16-20-40(65)21-17-36)78-62(94)54(34(3)83)80-60(92)52(30-53(66)86)77-59(91)51(29-39-32-72-45-14-9-7-12-43(39)45)76-58(90)49(73-35(4)84)26-37-18-22-41(85)23-19-37/h6-9,11-14,16-23,31-34,46-52,54,71-72,83,85H,10,15,24-30H2,1-5H3,(H2,66,86)(H2,67,87)(H,73,84)(H,74,89)(H,75,88)(H,76,90)(H,77,91)(H,78,94)(H,80,92)(H,81,93)(H3,68,69,70)(H2,79,82,95)/t34-,46+,47+,48+,49-,50+,51-,52+,54+/m1/s1
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n/an/an/an/a 2.80n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
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=1S/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+/m1/s1
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n/an/an/an/a 2.80n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
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=1S/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+/m1/s1
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n/an/an/an/a 3.70n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045512
PNG
(CHEMBL3314229)
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](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C62H82N16O13/c1-34(2)27-46(55(85)70-44(21-14-26-67-61(65)66-5)54(84)71-45(53(64)83)28-37-15-8-6-9-16-37)75-62(91)78-77-59(89)48(29-38-17-10-7-11-18-38)74-60(90)52(35(3)79)76-58(88)50(32-51(63)82)73-57(87)49(31-40-33-68-43-20-13-12-19-42(40)43)72-56(86)47(69-36(4)80)30-39-22-24-41(81)25-23-39/h6-13,15-20,22-25,33-35,44-50,52,68,79,81H,14,21,26-32H2,1-5H3,(H2,63,82)(H2,64,83)(H,69,80)(H,70,85)(H,71,84)(H,72,86)(H,73,87)(H,74,90)(H,76,88)(H,77,89)(H3,65,66,67)(H2,75,78,91)/t35-,44+,45+,46+,47-,48+,49-,50+,52+/m1/s1
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n/an/an/an/a 3.90n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045499
PNG
(CHEMBL3314216)
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@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C62H81N17O12/c1-33(2)25-47(56(86)71-45(19-12-24-68-61(66)67-4)55(85)72-46(53(65)83)28-37-31-69-43-17-10-8-15-40(37)43)76-62(91)79-78-59(89)48(27-35-13-6-5-7-14-35)75-60(90)52(34(3)80)77-58(88)50(30-51(64)82)74-57(87)49(29-38-32-70-44-18-11-9-16-41(38)44)73-54(84)42(63)26-36-20-22-39(81)23-21-36/h5-11,13-18,20-23,31-34,42,45-50,52,69-70,80-81H,12,19,24-30,63H2,1-4H3,(H2,64,82)(H2,65,83)(H,71,86)(H,72,85)(H,73,84)(H,74,87)(H,75,90)(H,77,88)(H,78,89)(H3,66,67,68)(H2,76,79,91)/t34-,42-,45+,46+,47+,48+,49-,50+,52+/m1/s1
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n/an/an/an/a 4.10n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
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=1S/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+/m1/s1
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n/an/an/an/a 4.10n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
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=1S/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+/m1/s1
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n/an/an/an/a 4.20n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045513
PNG
(KISSPEPTIN-10 | Kisspeptin-10)
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](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 4.20n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045513
PNG
(KISSPEPTIN-10 | Kisspeptin-10)
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](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 4.20n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196481
PNG
(CHEMBL3957784)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccc(F)cc1)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=1S/C64H82FN17O13/c1-33(2)25-48(57(89)74-46(15-10-24-70-63(68)69-5)56(88)75-47(55(67)87)28-38-31-71-44-13-8-6-11-42(38)44)79-64(95)82-81-61(93)50(27-36-16-20-40(65)21-17-36)78-62(94)54(34(3)83)80-60(92)52(30-53(66)86)77-59(91)51(29-39-32-72-45-14-9-7-12-43(39)45)76-58(90)49(73-35(4)84)26-37-18-22-41(85)23-19-37/h6-9,11-14,16-23,31-34,46-52,54,71-72,83,85H,10,15,24-30H2,1-5H3,(H2,66,86)(H2,67,87)(H,73,84)(H,74,89)(H,75,88)(H,76,90)(H,77,91)(H,78,94)(H,80,92)(H,81,93)(H3,68,69,70)(H2,79,82,95)/t34-,46+,47+,48+,49-,50+,51-,52+,54+/m1/s1
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n/an/an/an/a 4.70n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196419
PNG
(CHEMBL3930297)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1cccc(F)c1)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=1S/C64H82FN17O13/c1-33(2)24-48(57(89)74-46(18-11-23-70-63(68)69-5)56(88)75-47(55(67)87)28-38-31-71-44-16-8-6-14-42(38)44)79-64(95)82-81-61(93)50(27-37-12-10-13-40(65)25-37)78-62(94)54(34(3)83)80-60(92)52(30-53(66)86)77-59(91)51(29-39-32-72-45-17-9-7-15-43(39)45)76-58(90)49(73-35(4)84)26-36-19-21-41(85)22-20-36/h6-10,12-17,19-22,25,31-34,46-52,54,71-72,83,85H,11,18,23-24,26-30H2,1-5H3,(H2,66,86)(H2,67,87)(H,73,84)(H,74,89)(H,75,88)(H,76,90)(H,77,91)(H,78,94)(H,80,92)(H,81,93)(H3,68,69,70)(H2,79,82,95)/t34-,46+,47+,48+,49-,50+,51-,52+,54+/m1/s1
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n/an/an/an/a 4.80n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196421
PNG
(CHEMBL3985112)
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=1S/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+/m1/s1
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n/an/an/an/a 4.80n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045516
PNG
(CHEMBL3314208)
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](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C59H79N17O12/c1-32(2)25-44(53(83)68-42(15-10-22-66-58(63)64-4)52(82)69-43(50(62)80)29-37-31-67-41-14-9-8-13-39(37)41)73-59(88)76-75-56(86)46(27-34-11-6-5-7-12-34)72-57(87)49(33(3)77)74-55(85)47(30-48(61)79)71-54(84)45(28-36-20-23-65-24-21-36)70-51(81)40(60)26-35-16-18-38(78)19-17-35/h5-9,11-14,16-21,23-24,31-33,40,42-47,49,67,77-78H,10,15,22,25-30,60H2,1-4H3,(H2,61,79)(H2,62,80)(H,68,83)(H,69,82)(H,70,81)(H,71,84)(H,72,87)(H,74,85)(H,75,86)(H3,63,64,66)(H2,73,76,88)/t33-,40-,42+,43+,44+,45-,46+,47+,49+/m1/s1
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n/an/an/an/a 5.70n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
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=1S/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+/m1/s1
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n/an/an/an/a 6n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196442
PNG
(CHEMBL3915251)
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](C)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=1S/C56H78N16O13/c1-29(2)23-41(51(81)65-39(17-12-22-61-55(59)60-6)49(79)66-40(47(58)77)26-35-28-62-38-16-11-10-15-37(35)38)69-56(85)72-71-53(83)43(24-33-13-8-7-9-14-33)68-54(84)46(31(4)73)70-52(82)44(27-45(57)76)67-48(78)30(3)63-50(80)42(64-32(5)74)25-34-18-20-36(75)21-19-34/h7-11,13-16,18-21,28-31,39-44,46,62,73,75H,12,17,22-27H2,1-6H3,(H2,57,76)(H2,58,77)(H,63,80)(H,64,74)(H,65,81)(H,66,79)(H,67,78)(H,68,84)(H,70,82)(H,71,83)(H3,59,60,61)(H2,69,72,85)/t30-,31+,39-,40-,41-,42+,43-,44-,46-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196432
PNG
(CHEMBL3956437)
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](CCCCN)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=1S/C59H85N17O13/c1-32(2)26-44(53(84)69-42(19-13-25-65-58(63)64-5)51(82)70-43(50(62)81)29-37-31-66-40-17-10-9-16-39(37)40)73-59(89)76-75-56(87)46(27-35-14-7-6-8-15-35)72-57(88)49(33(3)77)74-55(86)47(30-48(61)80)71-52(83)41(18-11-12-24-60)68-54(85)45(67-34(4)78)28-36-20-22-38(79)23-21-36/h6-10,14-17,20-23,31-33,41-47,49,66,77,79H,11-13,18-19,24-30,60H2,1-5H3,(H2,61,80)(H2,62,81)(H,67,78)(H,68,85)(H,69,84)(H,70,82)(H,71,83)(H,72,88)(H,74,86)(H,75,87)(H3,63,64,65)(H2,73,76,89)/t33-,41+,42+,43+,44+,45-,46+,47+,49+/m1/s1
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n/an/an/an/a 6.80n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
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=1S/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-/m0/s1
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n/an/an/an/a 6.80n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196426
PNG
(CHEMBL3964403)
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]1Cc2ccccc2CN1C(=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=1S/C63H82N16O13/c1-34(2)26-47(56(86)71-45(20-13-25-68-62(66)67-5)55(85)72-46(54(65)84)29-41-32-69-44-19-12-11-18-43(41)44)75-63(92)78-77-58(88)48(27-37-14-7-6-8-15-37)74-60(90)53(35(3)80)76-57(87)49(31-52(64)83)73-59(89)51-30-39-16-9-10-17-40(39)33-79(51)61(91)50(70-36(4)81)28-38-21-23-42(82)24-22-38/h6-12,14-19,21-24,32,34-35,45-51,53,69,80,82H,13,20,25-31,33H2,1-5H3,(H2,64,83)(H2,65,84)(H,70,81)(H,71,86)(H,72,85)(H,73,89)(H,74,90)(H,76,87)(H,77,88)(H3,66,67,68)(H2,75,78,92)/t35-,45+,46+,47+,48+,49+,50-,51+,53+/m1/s1
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n/an/an/an/a 7n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196440
PNG
(CHEMBL3968824)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)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=1S/C57H79FN16O13/c1-29(2)22-41(49(81)66-39(16-11-21-63-55(61)62-7)48(80)67-40(47(60)79)26-34-28-64-38-15-9-8-14-37(34)38)70-56(87)74-73-52(84)43(25-33-12-10-13-35(58)23-33)68-53(85)46(30(3)75)71-50(82)44(27-45(59)78)69-54(86)57(5,6)72-51(83)42(65-31(4)76)24-32-17-19-36(77)20-18-32/h8-10,12-15,17-20,23,28-30,39-44,46,64,75,77H,11,16,21-22,24-27H2,1-7H3,(H2,59,78)(H2,60,79)(H,65,76)(H,66,81)(H,67,80)(H,68,85)(H,69,86)(H,71,82)(H,72,83)(H,73,84)(H3,61,62,63)(H2,70,74,87)/t30-,39+,40+,41+,42-,43+,44+,46+/m1/s1
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n/an/an/an/a 7n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196439
PNG
(CHEMBL3949224)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)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=1S/C59H84FN17O13/c1-31(2)24-44(53(85)70-42(17-11-23-66-58(64)65-5)51(83)71-43(50(63)82)28-36-30-67-40-15-7-6-14-39(36)40)74-59(90)77-76-56(88)46(27-35-12-10-13-37(60)25-35)73-57(89)49(32(3)78)75-55(87)47(29-48(62)81)72-52(84)41(16-8-9-22-61)69-54(86)45(68-33(4)79)26-34-18-20-38(80)21-19-34/h6-7,10,12-15,18-21,25,30-32,41-47,49,67,78,80H,8-9,11,16-17,22-24,26-29,61H2,1-5H3,(H2,62,81)(H2,63,82)(H,68,79)(H,69,86)(H,70,85)(H,71,83)(H,72,84)(H,73,89)(H,75,87)(H,76,88)(H3,64,65,66)(H2,74,77,90)/t32-,41+,42+,43+,44+,45-,46+,47+,49+/m1/s1
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n/an/an/an/a 7.10n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196417
PNG
(CHEMBL3977235)
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](C)N(C)C(=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=1S/C57H80N16O13/c1-30(2)24-42(51(81)65-40(18-13-23-62-56(60)61-6)50(80)66-41(48(59)78)27-36-29-63-39-17-12-11-16-38(36)39)69-57(86)72-71-53(83)43(25-34-14-9-8-10-15-34)68-54(84)47(32(4)74)70-52(82)44(28-46(58)77)67-49(79)31(3)73(7)55(85)45(64-33(5)75)26-35-19-21-37(76)22-20-35/h8-12,14-17,19-22,29-32,40-45,47,63,74,76H,13,18,23-28H2,1-7H3,(H2,58,77)(H2,59,78)(H,64,75)(H,65,81)(H,66,80)(H,67,79)(H,68,84)(H,70,82)(H,71,83)(H3,60,61,62)(H2,69,72,86)/t31-,32-,40+,41+,42+,43+,44+,45-,47+/m1/s1
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n/an/an/an/a 7.30n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
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=1S/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+/m1/s1
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n/an/an/an/a 7.40n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196443
PNG
(CHEMBL3939287)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=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=1S/C55H75FN16O13/c1-28(2)20-40(50(81)66-38(14-9-19-61-54(59)60-5)49(80)67-39(47(58)78)24-33-26-62-37-13-7-6-12-36(33)37)69-55(85)72-71-52(83)42(23-32-10-8-11-34(56)21-32)68-53(84)46(29(3)73)70-51(82)43(25-44(57)76)65-45(77)27-63-48(79)41(64-30(4)74)22-31-15-17-35(75)18-16-31/h6-8,10-13,15-18,21,26,28-29,38-43,46,62,73,75H,9,14,19-20,22-25,27H2,1-5H3,(H2,57,76)(H2,58,78)(H,63,79)(H,64,74)(H,65,77)(H,66,81)(H,67,80)(H,68,84)(H,70,82)(H,71,83)(H3,59,60,61)(H2,69,72,85)/t29-,38+,39+,40+,41-,42+,43+,46+/m1/s1
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n/an/an/an/a 7.40n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196422
PNG
(CHEMBL3967782)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1C[C@@H](O)CN1C(=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=1S/C58H79FN16O14/c1-29(2)20-42(51(83)67-40(14-9-19-64-57(62)63-5)50(82)68-41(49(61)81)24-34-27-65-39-13-7-6-12-38(34)39)71-58(89)74-73-53(85)43(23-33-10-8-11-35(59)21-33)70-55(87)48(30(3)76)72-52(84)44(26-47(60)80)69-54(86)46-25-37(79)28-75(46)56(88)45(66-31(4)77)22-32-15-17-36(78)18-16-32/h6-8,10-13,15-18,21,27,29-30,37,40-46,48,65,76,78-79H,9,14,19-20,22-26,28H2,1-5H3,(H2,60,80)(H2,61,81)(H,66,77)(H,67,83)(H,68,82)(H,69,86)(H,70,87)(H,72,84)(H,73,85)(H3,62,63,64)(H2,71,74,89)/t30-,37-,40+,41+,42+,43+,44+,45-,46+,48+/m1/s1
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n/an/an/an/a 8.5n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
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=1S/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-/m0/s1
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n/an/an/an/a 9.30n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196435
PNG
(CHEMBL3911692)
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]1CCCN1C(=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=1S/C58H80N16O13/c1-31(2)25-42(51(81)66-40(17-11-23-63-57(61)62-5)50(80)67-41(49(60)79)28-36-30-64-39-16-10-9-15-38(36)39)70-58(87)73-72-53(83)43(26-34-13-7-6-8-14-34)69-55(85)48(32(3)75)71-52(82)44(29-47(59)78)68-54(84)46-18-12-24-74(46)56(86)45(65-33(4)76)27-35-19-21-37(77)22-20-35/h6-10,13-16,19-22,30-32,40-46,48,64,75,77H,11-12,17-18,23-29H2,1-5H3,(H2,59,78)(H2,60,79)(H,65,76)(H,66,81)(H,67,80)(H,68,84)(H,69,85)(H,71,82)(H,72,83)(H3,61,62,63)(H2,70,73,87)/t32-,40+,41+,42+,43+,44+,45-,46+,48+/m1/s1
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n/an/an/an/a 9.30n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50442961
PNG
(CHEMBL3086284)
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](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H76N16O12/c1-32(2)25-41(50(79)64-39(15-10-22-63-55(60)61-3)49(78)65-40(47(59)76)27-33-11-6-4-7-12-33)70-56(84)72-71-54(83)43(28-34-13-8-5-9-14-34)67-53(82)45(31-73)69-52(81)44(30-46(58)75)68-51(80)42(29-36-20-23-62-24-21-36)66-48(77)38(57)26-35-16-18-37(74)19-17-35/h4-9,11-14,16-21,23-24,32,38-45,73-74H,10,15,22,25-31,57H2,1-3H3,(H2,58,75)(H2,59,76)(H,64,79)(H,65,78)(H,66,77)(H,67,82)(H,68,80)(H,69,81)(H,71,83)(H3,60,61,63)(H2,70,72,84)/t38-,39+,40+,41+,42-,43+,44+,45+/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196483
PNG
(CHEMBL3958495)
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](CCC(O)=O)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=1S/C58H80N16O15/c1-30(2)24-42(52(84)66-39(16-11-23-63-57(61)62-5)50(82)68-41(49(60)81)27-35-29-64-38-15-10-9-14-37(35)38)71-58(89)74-73-55(87)44(25-33-12-7-6-8-13-33)70-56(88)48(31(3)75)72-54(86)45(28-46(59)78)69-51(83)40(21-22-47(79)80)67-53(85)43(65-32(4)76)26-34-17-19-36(77)20-18-34/h6-10,12-15,17-20,29-31,39-45,48,64,75,77H,11,16,21-28H2,1-5H3,(H2,59,78)(H2,60,81)(H,65,76)(H,66,84)(H,67,85)(H,68,82)(H,69,83)(H,70,88)(H,72,86)(H,73,87)(H,79,80)(H3,61,62,63)(H2,71,74,89)/t31-,39+,40+,41+,42+,43-,44+,45+,48+/m1/s1
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n/an/an/an/a 11n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196433
PNG
(CHEMBL3985323)
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)CCNC(=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=1S/C56H78N16O13/c1-30(2)24-41(51(81)66-39(16-11-22-62-55(59)60-5)50(80)67-40(48(58)78)27-35-29-63-38-15-10-9-14-37(35)38)69-56(85)72-71-53(83)43(25-33-12-7-6-8-13-33)68-54(84)47(31(3)73)70-52(82)44(28-45(57)76)65-46(77)21-23-61-49(79)42(64-32(4)74)26-34-17-19-36(75)20-18-34/h6-10,12-15,17-20,29-31,39-44,47,63,73,75H,11,16,21-28H2,1-5H3,(H2,57,76)(H2,58,78)(H,61,79)(H,64,74)(H,65,77)(H,66,81)(H,67,80)(H,68,84)(H,70,82)(H,71,83)(H3,59,60,62)(H2,69,72,85)/t31-,39+,40+,41+,42-,43+,44+,47+/m1/s1
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n/an/an/an/a 11n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196428
PNG
(CHEMBL3976038)
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](CC(C)C)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=1S/C59H84N16O13/c1-31(2)24-43(69-54(84)45(66-34(6)77)27-36-19-21-38(78)22-20-36)52(82)70-47(29-48(60)79)55(85)73-49(33(5)76)57(87)71-46(26-35-14-9-8-10-15-35)56(86)74-75-59(88)72-44(25-32(3)4)53(83)67-41(18-13-23-64-58(62)63-7)51(81)68-42(50(61)80)28-37-30-65-40-17-12-11-16-39(37)40/h8-12,14-17,19-22,30-33,41-47,49,65,76,78H,13,18,23-29H2,1-7H3,(H2,60,79)(H2,61,80)(H,66,77)(H,67,83)(H,68,81)(H,69,84)(H,70,82)(H,71,87)(H,73,85)(H,74,86)(H3,62,63,64)(H2,72,75,88)/t33-,41+,42+,43-,44+,45-,46+,47+,49+/m1/s1
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n/an/an/an/a 12n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045517
PNG
(CHEMBL3314209)
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](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C60H81N17O11/c1-33(2)26-45(54(83)69-43(16-11-23-67-59(64)65-5)53(82)70-44(51(63)80)30-38-32-68-42-15-10-9-14-40(38)42)74-60(88)77-76-57(86)47(28-35-12-7-6-8-13-35)73-58(87)50(34(3)4)75-56(85)48(31-49(62)79)72-55(84)46(29-37-21-24-66-25-22-37)71-52(81)41(61)27-36-17-19-39(78)20-18-36/h6-10,12-15,17-22,24-25,32-34,41,43-48,50,68,78H,11,16,23,26-31,61H2,1-5H3,(H2,62,79)(H2,63,80)(H,69,83)(H,70,82)(H,71,81)(H,72,84)(H,73,87)(H,75,85)(H,76,86)(H3,64,65,67)(H2,74,77,88)/t41-,43+,44+,45+,46-,47+,48+,50+/m1/s1
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n/an/an/an/a 12n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50045518
PNG
(CHEMBL3314213)
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]1CCCN1C(=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=1S/C60H79N17O11/c1-34(2)27-45(54(83)69-43(15-9-23-67-59(64)65-3)53(82)70-44(51(63)80)31-38-33-68-42-14-8-7-13-40(38)42)74-60(88)76-75-56(85)47(29-35-11-5-4-6-12-35)72-57(86)49-16-10-26-77(49)58(87)48(32-50(62)79)73-55(84)46(30-37-21-24-66-25-22-37)71-52(81)41(61)28-36-17-19-39(78)20-18-36/h4-8,11-14,17-22,24-25,33-34,41,43-49,68,78H,9-10,15-16,23,26-32,61H2,1-3H3,(H2,62,79)(H2,63,80)(H,69,83)(H,70,82)(H,71,81)(H,72,86)(H,73,84)(H,75,85)(H3,64,65,67)(H2,74,76,88)/t41-,43+,44+,45+,46-,47+,48+,49+/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
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=1S/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-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 57: 6105-15 (2014)


Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196436
PNG
(CHEMBL3931718)
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)C1CN(C1)C(=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=1S/C57H78N16O13/c1-30(2)22-42(51(81)65-40(16-11-21-62-56(60)61-5)50(80)66-41(48(59)78)25-35-27-63-39-15-10-9-14-38(35)39)69-57(86)72-71-53(83)43(23-33-12-7-6-8-13-33)68-54(84)47(31(3)74)70-52(82)44(26-46(58)77)67-49(79)36-28-73(29-36)55(85)45(64-32(4)75)24-34-17-19-37(76)20-18-34/h6-10,12-15,17-20,27,30-31,36,40-45,47,63,74,76H,11,16,21-26,28-29H2,1-5H3,(H2,58,77)(H2,59,78)(H,64,75)(H,65,81)(H,66,80)(H,67,79)(H,68,84)(H,70,82)(H,71,83)(H3,60,61,62)(H2,69,72,86)/t31-,40+,41+,42+,43+,44+,45-,47+/m1/s1
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n/an/an/an/a 15n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196425
PNG
(CHEMBL3904889)
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](C)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=1S/C56H78N16O13/c1-29(2)23-41(51(81)65-39(17-12-22-61-55(59)60-6)49(79)66-40(47(58)77)26-35-28-62-38-16-11-10-15-37(35)38)69-56(85)72-71-53(83)43(24-33-13-8-7-9-14-33)68-54(84)46(31(4)73)70-52(82)44(27-45(57)76)67-48(78)30(3)63-50(80)42(64-32(5)74)25-34-18-20-36(75)21-19-34/h7-11,13-16,18-21,28-31,39-44,46,62,73,75H,12,17,22-27H2,1-6H3,(H2,57,76)(H2,58,77)(H,63,80)(H,64,74)(H,65,81)(H,66,79)(H,67,78)(H,68,84)(H,70,82)(H,71,83)(H3,59,60,61)(H2,69,72,85)/t30-,31-,39+,40+,41+,42-,43+,44+,46+/m1/s1
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196418
PNG
(CHEMBL3967058)
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]1CCN1C(=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=1S/C57H78N16O13/c1-30(2)24-41(50(80)65-39(16-11-22-62-56(60)61-5)49(79)66-40(48(59)78)27-35-29-63-38-15-10-9-14-37(35)38)69-57(86)72-71-52(82)42(25-33-12-7-6-8-13-33)68-54(84)47(31(3)74)70-51(81)43(28-46(58)77)67-53(83)45-21-23-73(45)55(85)44(64-32(4)75)26-34-17-19-36(76)20-18-34/h6-10,12-15,17-20,29-31,39-45,47,63,74,76H,11,16,21-28H2,1-5H3,(H2,58,77)(H2,59,78)(H,64,75)(H,65,80)(H,66,79)(H,67,83)(H,68,84)(H,70,81)(H,71,82)(H3,60,61,62)(H2,69,72,86)/t31-,39+,40+,41+,42+,43+,44-,45+,47+/m1/s1
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n/an/an/an/a 16n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196444
PNG
(CHEMBL3894943)
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]1CCCCN1C(=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=1S/C59H82N16O13/c1-32(2)26-43(52(82)67-41(18-13-24-64-58(62)63-5)51(81)68-42(50(61)80)29-37-31-65-40-17-10-9-16-39(37)40)71-59(88)74-73-54(84)44(27-35-14-7-6-8-15-35)70-56(86)49(33(3)76)72-53(83)45(30-48(60)79)69-55(85)47-19-11-12-25-75(47)57(87)46(66-34(4)77)28-36-20-22-38(78)23-21-36/h6-10,14-17,20-23,31-33,41-47,49,65,76,78H,11-13,18-19,24-30H2,1-5H3,(H2,60,79)(H2,61,80)(H,66,77)(H,67,82)(H,68,81)(H,69,85)(H,70,86)(H,72,83)(H,73,84)(H3,62,63,64)(H2,71,74,88)/t33-,41+,42+,43+,44+,45+,46-,47+,49+/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196427
PNG
(CHEMBL3964945)
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(C)(C)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=1S/C57H80N16O13/c1-30(2)24-41(49(80)65-39(18-13-23-62-55(60)61-7)48(79)66-40(47(59)78)27-35-29-63-38-17-12-11-16-37(35)38)69-56(86)73-72-52(83)43(25-33-14-9-8-10-15-33)67-53(84)46(31(3)74)70-50(81)44(28-45(58)77)68-54(85)57(5,6)71-51(82)42(64-32(4)75)26-34-19-21-36(76)22-20-34/h8-12,14-17,19-22,29-31,39-44,46,63,74,76H,13,18,23-28H2,1-7H3,(H2,58,77)(H2,59,78)(H,64,75)(H,65,80)(H,66,79)(H,67,84)(H,68,85)(H,70,81)(H,71,82)(H,72,83)(H3,60,61,62)(H2,69,73,86)/t31-,39+,40+,41+,42-,43+,44+,46+/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196441
PNG
(CHEMBL3914238)
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](CCCCN)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=1S/C59H85N17O13/c1-32(2)26-44(53(84)69-42(19-13-25-65-58(63)64-5)51(82)70-43(50(62)81)29-37-31-66-40-17-10-9-16-39(37)40)73-59(89)76-75-56(87)46(27-35-14-7-6-8-15-35)72-57(88)49(33(3)77)74-55(86)47(30-48(61)80)71-52(83)41(18-11-12-24-60)68-54(85)45(67-34(4)78)28-36-20-22-38(79)23-21-36/h6-10,14-17,20-23,31-33,41-47,49,66,77,79H,11-13,18-19,24-30,60H2,1-5H3,(H2,61,80)(H2,62,81)(H,67,78)(H,68,85)(H,69,84)(H,70,82)(H,71,83)(H,72,88)(H,74,86)(H,75,87)(H3,63,64,65)(H2,73,76,89)/t33-,41-,42+,43+,44+,45-,46+,47+,49+/m1/s1
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n/an/an/an/a 18n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196423
PNG
(CHEMBL3977314)
Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)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=1S/C58H79FN16O15/c1-29(2)22-42(52(85)67-39(14-9-21-64-57(62)63-5)50(83)69-41(49(61)82)26-34-28-65-38-13-7-6-12-37(34)38)72-58(90)75-74-55(88)44(25-33-10-8-11-35(59)23-33)71-56(89)48(30(3)76)73-54(87)45(27-46(60)79)70-51(84)40(19-20-47(80)81)68-53(86)43(66-31(4)77)24-32-15-17-36(78)18-16-32/h6-8,10-13,15-18,23,28-30,39-45,48,65,76,78H,9,14,19-22,24-27H2,1-5H3,(H2,60,79)(H2,61,82)(H,66,77)(H,67,85)(H,68,86)(H,69,83)(H,70,84)(H,71,89)(H,73,87)(H,74,88)(H,80,81)(H3,62,63,64)(H2,72,75,90)/t30-,39+,40+,41+,42+,43-,44+,45+,48+/m1/s1
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n/an/an/an/a 20n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50196464
PNG
(CHEMBL3956626)
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)CN(C)C(=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=1S/C56H78N16O13/c1-30(2)23-41(50(80)65-39(17-12-22-61-55(59)60-5)49(79)66-40(48(58)78)26-35-28-62-38-16-11-10-15-37(35)38)68-56(85)71-70-52(82)42(24-33-13-8-7-9-14-33)67-53(83)47(31(3)73)69-51(81)43(27-45(57)76)64-46(77)29-72(6)54(84)44(63-32(4)74)25-34-18-20-36(75)21-19-34/h7-11,13-16,18-21,28,30-31,39-44,47,62,73,75H,12,17,22-27,29H2,1-6H3,(H2,57,76)(H2,58,78)(H,63,74)(H,64,77)(H,65,80)(H,66,79)(H,67,83)(H,69,81)(H,70,82)(H3,59,60,61)(H2,68,71,85)/t31-,39+,40+,41+,42+,43+,44-,47+/m1/s1
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...


J Med Chem 59: 8804-8811 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00379
BindingDB Entry DOI: 10.7270/Q2000425
More data for this
Ligand-Target Pair
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