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PubMed code 27589480

Compile data set for download or QSAR
Found 72 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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=1/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+/s2
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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)
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=1/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+/s2
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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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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n/an/an/an/a 2n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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-/s2
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n/an/an/an/a 0.960n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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=1/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+/s2
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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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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n/an/an/an/a 1.90n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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=1/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+/s2
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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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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n/an/an/an/a 1.90n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50196434
PNG
(CHEMBL3938759)
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)c1ccccc1NC(=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/C60H78N16O13/c1-32(2)26-45(54(84)69-43(20-13-25-65-59(63)64-5)53(83)70-44(51(62)81)29-37-31-66-41-18-11-9-16-39(37)41)73-60(89)76-75-57(87)47(27-35-14-7-6-8-15-35)72-58(88)50(33(3)77)74-56(86)48(30-49(61)80)71-52(82)40-17-10-12-19-42(40)68-55(85)46(67-34(4)78)28-36-21-23-38(79)24-22-36/h6-12,14-19,21-24,31-33,43-48,50,66,77,79H,13,20,25-30H2,1-5H3,(H2,61,80)(H2,62,81)(H,67,78)(H,68,85)(H,69,84)(H,70,83)(H,71,82)(H,72,88)(H,74,86)(H,75,87)(H3,63,64,65)(H2,73,76,89)/t33-,43+,44+,45+,46-,47+,48+,50+/s2
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n/an/an/an/a 5.20n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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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 human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50196437
PNG
(CHEMBL3982675)
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]1CCCN(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=1/C59H82N16O13/c1-32(2)25-44(53(83)67-42(18-11-23-64-58(62)63-5)52(82)68-43(50(61)80)28-38-30-65-41-17-10-9-16-40(38)41)71-59(88)74-73-55(85)45(26-35-13-7-6-8-14-35)70-56(86)49(33(3)76)72-54(84)46(29-48(60)79)69-51(81)37-15-12-24-75(31-37)57(87)47(66-34(4)77)27-36-19-21-39(78)22-20-36/h6-10,13-14,16-17,19-22,30,32-33,37,42-47,49,65,76,78H,11-12,15,18,23-29,31H2,1-5H3,(H2,60,79)(H2,61,80)(H,66,77)(H,67,83)(H,68,82)(H,69,81)(H,70,86)(H,72,84)(H,73,85)(H3,62,63,64)(H2,71,74,88)/t33-,37+,42+,43+,44+,45+,46+,47-,49+/s2
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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=1/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+/s2
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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)
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=1/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+/s2
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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)
BDBM50196437
PNG
(CHEMBL3982675)
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]1CCCN(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=1/C59H82N16O13/c1-32(2)25-44(53(83)67-42(18-11-23-64-58(62)63-5)52(82)68-43(50(61)80)28-38-30-65-41-17-10-9-16-40(38)41)71-59(88)74-73-55(85)45(26-35-13-7-6-8-14-35)70-56(86)49(33(3)76)72-54(84)46(29-48(60)79)69-51(81)37-15-12-24-75(31-37)57(87)47(66-34(4)77)27-36-19-21-39(78)22-20-36/h6-10,13-14,16-17,19-22,30,32-33,37,42-47,49,65,76,78H,11-12,15,18,23-29,31H2,1-5H3,(H2,60,79)(H2,61,80)(H,66,77)(H,67,83)(H,68,82)(H,69,81)(H,70,86)(H,72,84)(H,73,85)(H3,62,63,64)(H2,71,74,88)/t33-,37+,42+,43+,44+,45+,46+,47-,49+/s2
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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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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)
BDBM50196424
PNG
(CHEMBL3966187)
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=1/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+/s2
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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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50196429
PNG
(CHEMBL3896533)
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)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=1/C55H76N16O13/c1-29(2)22-40(50(80)65-38(16-11-21-60-54(58)59-5)49(79)66-39(47(57)77)25-34-27-61-37-15-10-9-14-36(34)37)68-55(84)71-70-52(82)42(23-32-12-7-6-8-13-32)67-53(83)46(30(3)72)69-51(81)43(26-44(56)75)64-45(76)28-62-48(78)41(63-31(4)73)24-33-17-19-35(74)20-18-33/h6-10,12-15,17-20,27,29-30,38-43,46,61,72,74H,11,16,21-26,28H2,1-5H3,(H2,56,75)(H2,57,77)(H,62,78)(H,63,73)(H,64,76)(H,65,80)(H,66,79)(H,67,83)(H,69,81)(H,70,82)(H3,58,59,60)(H2,68,71,84)/t30-,38+,39+,40+,41-,42+,43+,46+/s2
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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n/an/an/an/a 0.480n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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=1/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+/s2
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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)
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=1/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+/s2
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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)
BDBM50196462
PNG
(CHEMBL3956072)
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]1CSCN1C(=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/C57H78N16O13S/c1-30(2)22-41(50(80)65-39(16-11-21-62-56(60)61-5)49(79)66-40(48(59)78)25-35-27-63-38-15-10-9-14-37(35)38)69-57(86)72-71-52(82)42(23-33-12-7-6-8-13-33)68-54(84)47(31(3)74)70-51(81)43(26-46(58)77)67-53(83)45-28-87-29-73(45)55(85)44(64-32(4)75)24-34-17-19-36(76)20-18-34/h6-10,12-15,17-20,27,30-31,39-45,47,63,74,76H,11,16,21-26,28-29H2,1-5H3,(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+/s2
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n/an/an/an/a 23n/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)
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=1/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+/s2
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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)
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=1/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+/s2
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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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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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 human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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n/an/an/an/a 0.470n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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n/an/an/an/a 0.0730n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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n/an/an/an/a 0.430n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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)
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=1/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+/s2
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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)
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=1/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+/s2
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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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50196430
PNG
(CHEMBL3984058)
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=1/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+/s2
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n/an/an/an/a 22n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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)
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=1/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-/s2
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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
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 expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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n/an/an/an/a 4.90n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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)
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=1/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+/s2
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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)
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=1/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+/s2
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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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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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 human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50196420
PNG
(CHEMBL3924151)
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]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=1/C58H80N16O14/c1-30(2)22-42(51(82)66-40(16-11-21-63-57(61)62-5)50(81)67-41(49(60)80)25-35-28-64-39-15-10-9-14-38(35)39)70-58(88)73-72-53(84)43(23-33-12-7-6-8-13-33)69-55(86)48(31(3)75)71-52(83)44(27-47(59)79)68-54(85)46-26-37(78)29-74(46)56(87)45(65-32(4)76)24-34-17-19-36(77)20-18-34/h6-10,12-15,17-20,28,30-31,37,40-46,48,64,75,77-78H,11,16,21-27,29H2,1-5H3,(H2,59,79)(H2,60,80)(H,65,76)(H,66,82)(H,67,81)(H,68,85)(H,69,86)(H,71,83)(H,72,84)(H3,61,62,63)(H2,70,73,88)/t31-,37-,40+,41+,42+,43+,44+,45-,46+,48+/s2
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n/an/an/an/a 5.20n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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)
BDBM50196430
PNG
(CHEMBL3984058)
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=1/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+/s2
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n/an/an/an/a 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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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n/an/an/an/a 2.70n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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n/an/an/an/a 2.40n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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)
BDBM50196434
PNG
(CHEMBL3938759)
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)c1ccccc1NC(=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/C60H78N16O13/c1-32(2)26-45(54(84)69-43(20-13-25-65-59(63)64-5)53(83)70-44(51(62)81)29-37-31-66-41-18-11-9-16-39(37)41)73-60(89)76-75-57(87)47(27-35-14-7-6-8-15-35)72-58(88)50(33(3)77)74-56(86)48(30-49(61)80)71-52(82)40-17-10-12-19-42(40)68-55(85)46(67-34(4)78)28-36-21-23-38(79)24-22-36/h6-12,14-19,21-24,31-33,43-48,50,66,77,79H,13,20,25-30H2,1-5H3,(H2,61,80)(H2,62,81)(H,67,78)(H,68,85)(H,69,84)(H,70,83)(H,71,82)(H,72,88)(H,74,86)(H,75,87)(H3,63,64,65)(H2,73,76,89)/t33-,43+,44+,45+,46-,47+,48+,50+/s2
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n/an/an/an/a 47n/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)
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=1/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+/s2
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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)
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=1/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+/s2
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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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=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 0.610n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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=1/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+/s2
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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)
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=1/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+/s2
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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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50196424
PNG
(CHEMBL3966187)
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=1/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+/s2
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n/an/an/an/a 5.80n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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)
BDBM50196429
PNG
(CHEMBL3896533)
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)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=1/C55H76N16O13/c1-29(2)22-40(50(80)65-38(16-11-21-60-54(58)59-5)49(79)66-39(47(57)77)25-34-27-61-37-15-10-9-14-36(34)37)68-55(84)71-70-52(82)42(23-32-12-7-6-8-13-32)67-53(83)46(30(3)72)69-51(81)43(26-44(56)75)64-45(76)28-62-48(78)41(63-31(4)73)24-33-17-19-35(74)20-18-33/h6-10,12-15,17-20,27,29-30,38-43,46,61,72,74H,11,16,21-26,28H2,1-5H3,(H2,56,75)(H2,57,77)(H,62,78)(H,63,73)(H,64,76)(H,65,80)(H,66,79)(H,67,83)(H,69,81)(H,70,82)(H3,58,59,60)(H2,68,71,84)/t30-,38+,39+,40+,41-,42+,43+,46+/s2
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n/an/an/an/a 46n/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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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n/an/an/an/a 1.60n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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n/an/an/an/a 0.650n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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)
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=1/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-/s2
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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)
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=1/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+/s2
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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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50196462
PNG
(CHEMBL3956072)
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]1CSCN1C(=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/C57H78N16O13S/c1-30(2)22-41(50(80)65-39(16-11-21-62-56(60)61-5)49(79)66-40(48(59)78)25-35-27-63-38-15-10-9-14-37(35)38)69-57(86)72-71-52(82)42(23-33-12-7-6-8-13-33)68-54(84)47(31(3)74)70-51(81)43(26-46(58)77)67-53(83)45-28-87-29-73(45)55(85)44(64-32(4)75)24-34-17-19-36(76)20-18-34/h6-10,12-15,17-20,27,30-31,39-45,47,63,74,76H,11,16,21-26,28-29H2,1-5H3,(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+/s2
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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 human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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-/s2
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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 human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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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 human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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n/an/an/an/a 0.560n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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n/an/an/an/a 1.40n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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=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 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)
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=1/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+/s2
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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)
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=1/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+/s2
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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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50196463
PNG
(CHEMBL3947975)
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=1/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-/s2
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n/an/an/an/a 4.40n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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)
BDBM50196463
PNG
(CHEMBL3947975)
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=1/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-/s2
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n/an/an/an/a 43n/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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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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 human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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n/an/an/an/a 3.30n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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=1/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+/s2
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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)
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=1/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+/s2
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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)
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=1/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+/s2
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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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/s2
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n/an/an/an/a 3.60n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


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


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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
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=1/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+/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 expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...


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=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 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)
BDBM50196420
PNG
(CHEMBL3924151)
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]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=1/C58H80N16O14/c1-30(2)22-42(51(82)66-40(16-11-21-63-57(61)62-5)50(81)67-41(49(60)80)25-35-28-64-39-15-10-9-14-38(35)39)70-58(88)73-72-53(84)43(23-33-12-7-6-8-13-33)69-55(86)48(31(3)75)71-52(83)44(27-47(59)79)68-54(85)46-26-37(78)29-74(46)56(87)45(65-32(4)76)24-34-17-19-36(77)20-18-34/h6-10,12-15,17-20,28,30-31,37,40-46,48,64,75,77-78H,11,16,21-27,29H2,1-5H3,(H2,59,79)(H2,60,80)(H,65,76)(H,66,82)(H,67,81)(H,68,85)(H,69,86)(H,71,83)(H,72,84)(H3,61,62,63)(H2,70,73,88)/t31-,37-,40+,41+,42+,43+,44+,45-,46+,48+/s2
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n/an/an/an/a 36n/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
* indicates data uncertainty>20%