Found 212 hits of ec50 data for polymerid = 3035 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50082078
(CHEMBL3422411)Show SMILES CC(C)C[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.00600 | n/a | n/a | n/a | n/a |
UMR7247; Universit£ Fran£ois Rabelais Tours; IFCE)
Curated by ChEMBL
| Assay Description
Agonist activity at human wild-type KISS1R expressed in HEK293 cells assessed as induction of intracellular Ca2+ mobilization after 30 mins by Fluo4 ... |
J Med Chem 58: 3459-70 (2015)
Article DOI: 10.1021/jm5019675
BindingDB Entry DOI: 10.7270/Q2JD4ZHJ |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50508242
(CHEMBL4539775)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C45H58N12O6/c1-27(2)22-37(42(61)53-35(18-11-21-49-44(47)48-3)41(60)54-36(40(46)59)24-30-26-51-34-17-10-8-15-32(30)34)55-45(63)57-56-43(62)38(23-28-12-5-4-6-13-28)52-39(58)20-19-29-25-50-33-16-9-7-14-31(29)33/h4-10,12-17,25-27,35-38,50-51H,11,18-24H2,1-3H3,(H2,46,59)(H,52,58)(H,53,61)(H,54,60)(H,56,62)(H3,47,48,49)(H2,55,57,63)/t35-,36-,37-,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0220 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392485
(CHEMBL2152055)Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C64H85N17O14/c1-35(2)25-46(59(91)75-44(19-12-24-71-64(69)70-3)58(90)76-45(55(68)87)27-36-13-6-4-7-14-36)74-54(86)33-73-57(89)47(28-37-15-8-5-9-16-37)78-63(95)51(34-82)81-62(94)50(31-53(67)85)80-60(92)48(29-39-32-72-43-18-11-10-17-41(39)43)79-61(93)49(30-52(66)84)77-56(88)42(65)26-38-20-22-40(83)23-21-38/h4-11,13-18,20-23,32,35,42,44-51,72,82-83H,12,19,24-31,33-34,65H2,1-3H3,(H2,66,84)(H2,67,85)(H2,68,87)(H,73,89)(H,74,86)(H,75,91)(H,76,90)(H,77,88)(H,78,95)(H,79,93)(H,80,92)(H,81,94)(H3,69,70,71)/t42-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0230 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay |
Bioorg Med Chem Lett 22: 6328-32 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.087
BindingDB Entry DOI: 10.7270/Q22F7PJT |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50508234
(CHEMBL4533110)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C41H53N11O6/c1-25(2)21-33(50-41(58)52-51-39(57)34(22-26-13-6-4-7-14-26)49-36(54)27-15-8-5-9-16-27)38(56)47-31(19-12-20-45-40(43)44-3)37(55)48-32(35(42)53)23-28-24-46-30-18-11-10-17-29(28)30/h4-11,13-18,24-25,31-34,46H,12,19-23H2,1-3H3,(H2,42,53)(H,47,56)(H,48,55)(H,49,54)(H,51,57)(H3,43,44,45)(H2,50,52,58)/t31-,32-,33-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0240 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50508221
(CHEMBL4462883)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C38H53N11O6/c1-22(2)18-30(47-38(55)49-48-36(54)31(46-33(51)24-15-16-24)19-23-10-5-4-6-11-23)35(53)44-28(14-9-17-42-37(40)41-3)34(52)45-29(32(39)50)20-25-21-43-27-13-8-7-12-26(25)27/h4-8,10-13,21-22,24,28-31,43H,9,14-20H2,1-3H3,(H2,39,50)(H,44,53)(H,45,52)(H,46,51)(H,48,54)(H3,40,41,42)(H2,47,49,55)/t28-,29-,30-,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0280 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392490
(CHEMBL2152060)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:59.62,37.50,23.26,72.75,wD:51.58,29.34,12.20,4.4,84.87,(21,-27.74,;21,-26.2,;22.32,-25.43,;19.66,-25.43,;19.66,-23.89,;18.33,-23.12,;17,-23.89,;17,-25.43,;15.66,-23.12,;14.34,-23.89,;13,-23.12,;13,-21.58,;11.67,-23.89,;11.67,-25.43,;13,-26.2,;14.34,-25.43,;15.67,-26.2,;15.67,-27.74,;14.34,-28.51,;13,-27.73,;10.33,-23.12,;9.01,-23.89,;9.01,-25.43,;7.67,-23.12,;7.67,-21.58,;9.01,-20.82,;6.33,-23.89,;5,-23.12,;5,-21.58,;3.67,-23.89,;3.67,-25.43,;5,-26.2,;6.33,-25.43,;5,-27.74,;2.34,-23.12,;1,-23.89,;1,-25.43,;-.34,-23.12,;-.34,-21.58,;1,-20.82,;2.41,-21.44,;3.43,-20.29,;2.67,-18.96,;3.14,-17.5,;2.12,-16.35,;.61,-16.68,;.13,-18.14,;1.16,-19.28,;-1.66,-23.89,;-3,-23.12,;-3,-21.58,;-4.33,-23.89,;-4.33,-25.43,;-3,-26.2,;-1.66,-25.43,;-3,-27.74,;-5.66,-23.12,;-7,-23.89,;-7,-25.43,;-8.33,-23.12,;-9.66,-23.89,;-8.33,-21.58,;-7,-20.82,;-5.66,-21.58,;-4.33,-20.81,;-4.33,-19.28,;-3,-18.5,;-5.66,-18.51,;-7,-19.28,;21,-23.12,;21,-21.58,;22.32,-23.89,;23.66,-23.12,;23.67,-21.57,;25.01,-20.8,;25.01,-19.25,;26.35,-18.48,;26.35,-16.93,;27.7,-16.16,;27.7,-14.61,;29.03,-16.93,;25,-23.89,;25,-25.43,;26.33,-23.12,;27.66,-23.89,;27.66,-25.43,;28.99,-26.2,;30.33,-25.43,;31.67,-26.2,;31.67,-27.74,;30.33,-28.51,;28.99,-27.73,;28.99,-23.12,;30.33,-23.89,;28.99,-21.58,)| Show InChI InChI=1S/C64H85N17O14/c1-35(2)25-46(59(91)75-44(19-11-12-24-71-64(69)70)58(90)76-45(55(68)87)27-36-13-5-3-6-14-36)74-54(86)33-73-57(89)47(28-37-15-7-4-8-16-37)78-63(95)51(34-82)81-62(94)50(31-53(67)85)80-60(92)48(29-39-32-72-43-18-10-9-17-41(39)43)79-61(93)49(30-52(66)84)77-56(88)42(65)26-38-20-22-40(83)23-21-38/h3-10,13-18,20-23,32,35,42,44-51,72,82-83H,11-12,19,24-31,33-34,65H2,1-2H3,(H2,66,84)(H2,67,85)(H2,68,87)(H,73,89)(H,74,86)(H,75,91)(H,76,90)(H,77,88)(H,78,95)(H,79,93)(H,80,92)(H,81,94)(H4,69,70,71)/t42-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0290 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay |
Bioorg Med Chem Lett 22: 6328-32 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.087
BindingDB Entry DOI: 10.7270/Q22F7PJT |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50508225
(CHEMBL4528114)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C40H52N12O6/c1-24(2)20-32(50-40(58)52-51-38(57)33(21-25-12-5-4-6-13-25)49-35(54)29-16-9-10-18-44-29)37(56)47-30(17-11-19-45-39(42)43-3)36(55)48-31(34(41)53)22-26-23-46-28-15-8-7-14-27(26)28/h4-10,12-16,18,23-24,30-33,46H,11,17,19-22H2,1-3H3,(H2,41,53)(H,47,56)(H,48,55)(H,49,54)(H,51,57)(H3,42,43,45)(H2,50,52,58)/t30-,31-,32-,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0370 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392486
(CHEMBL2152056)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:76.79| Show InChI InChI=1S/C65H87N17O14/c1-36(2)26-47(60(92)75-45(20-13-25-71-65(70)82(3)4)59(91)76-46(56(69)88)28-37-14-7-5-8-15-37)74-55(87)34-73-58(90)48(29-38-16-9-6-10-17-38)78-64(96)52(35-83)81-63(95)51(32-54(68)86)80-61(93)49(30-40-33-72-44-19-12-11-18-42(40)44)79-62(94)50(31-53(67)85)77-57(89)43(66)27-39-21-23-41(84)24-22-39/h5-12,14-19,21-24,33,36,43,45-52,72,83-84H,13,20,25-32,34-35,66H2,1-4H3,(H2,67,85)(H2,68,86)(H2,69,88)(H2,70,71)(H,73,90)(H,74,87)(H,75,92)(H,76,91)(H,77,89)(H,78,96)(H,79,94)(H,80,93)(H,81,95)/t43-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0390 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay |
Bioorg Med Chem Lett 22: 6328-32 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.087
BindingDB Entry DOI: 10.7270/Q22F7PJT |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392402
(CHEMBL2151643)Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=S)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C64H85N17O13S/c1-35(2)25-46(58(90)75-44(19-12-24-71-64(69)70-3)57(89)76-45(55(68)87)27-36-13-6-4-7-14-36)74-54(86)33-73-63(95)50(28-37-15-8-5-9-16-37)80-62(94)51(34-82)81-61(93)49(31-53(67)85)79-59(91)47(29-39-32-72-43-18-11-10-17-41(39)43)78-60(92)48(30-52(66)84)77-56(88)42(65)26-38-20-22-40(83)23-21-38/h4-11,13-18,20-23,32,35,42,44-51,72,82-83H,12,19,24-31,33-34,65H2,1-3H3,(H2,66,84)(H2,67,85)(H2,68,87)(H,73,95)(H,74,86)(H,75,90)(H,76,89)(H,77,88)(H,78,92)(H,79,91)(H,80,94)(H,81,93)(H3,69,70,71)/t42-,44+,45+,46+,47+,48+,49+,50+,51+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0410 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis |
Bioorg Med Chem Lett 22: 6391-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.069
BindingDB Entry DOI: 10.7270/Q2ZP477R |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM26349
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:83.86,72.75,12.20,29.34,37.50,51.58,59.62,wD:4.4,23.26,(23.93,-21.81,;22.46,-22.29,;22.15,-23.79,;21.33,-21.26,;21.65,-19.76,;20.51,-18.74,;19.04,-19.2,;18.73,-20.72,;17.9,-18.17,;16.44,-18.65,;15.29,-17.62,;15.61,-16.12,;13.83,-18.1,;12.69,-17.06,;13.01,-15.57,;11.86,-14.54,;12.18,-13.03,;13.65,-12.55,;14.79,-13.59,;14.47,-15.08,;13.51,-19.6,;12.05,-20.08,;10.9,-19.05,;11.73,-21.57,;12.87,-22.61,;14.34,-22.12,;10.27,-22.05,;9.94,-23.55,;11.09,-24.58,;8.49,-24.03,;7.34,-23,;7.67,-21.49,;6.52,-20.46,;9.12,-21.02,;8.16,-25.53,;6.7,-26.01,;5.56,-24.98,;6.38,-27.51,;4.92,-27.99,;4.6,-29.49,;5.63,-30.63,;4.86,-31.97,;3.35,-31.65,;2.11,-32.56,;.71,-31.92,;.55,-30.4,;1.79,-29.49,;3.2,-30.12,;7.53,-28.54,;8.98,-28.07,;9.31,-26.56,;10.13,-29.1,;9.81,-30.6,;8.35,-31.08,;8.02,-32.58,;7.2,-30.05,;11.59,-28.62,;12.74,-29.65,;12.42,-31.16,;14.21,-29.18,;14.52,-27.67,;15.34,-30.2,;16.8,-29.73,;17.12,-28.22,;18.58,-27.75,;19.72,-28.77,;21.19,-28.3,;19.41,-30.28,;17.94,-30.75,;23.11,-19.28,;23.42,-17.77,;24.24,-20.31,;25.71,-19.83,;26.03,-18.32,;27.49,-17.85,;27.81,-16.34,;29.28,-15.87,;29.59,-14.36,;28.45,-13.34,;31.06,-13.9,;26.85,-20.86,;26.53,-22.37,;28.32,-20.39,;29.46,-21.42,;30.93,-20.94,;32.07,-21.97,;33.53,-21.49,;34.68,-22.52,;34.35,-24.03,;32.89,-24.5,;31.75,-23.47,;29.14,-22.92,;27.68,-23.4,;30.28,-23.95,)| Show InChI InChI=1S/C63H83N17O14/c1-34(2)24-45(58(90)74-43(18-11-23-70-63(68)69)57(89)75-44(54(67)86)26-35-12-5-3-6-13-35)73-53(85)32-72-56(88)46(27-36-14-7-4-8-15-36)77-62(94)50(33-81)80-61(93)49(30-52(66)84)79-59(91)47(28-38-31-71-42-17-10-9-16-40(38)42)78-60(92)48(29-51(65)83)76-55(87)41(64)25-37-19-21-39(82)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,71,81-82H,11,18,23-30,32-33,64H2,1-2H3,(H2,65,83)(H2,66,84)(H2,67,86)(H,72,88)(H,73,85)(H,74,90)(H,75,89)(H,76,87)(H,77,94)(H,78,92)(H,79,91)(H,80,93)(H4,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0490 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis |
Bioorg Med Chem Lett 22: 6391-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.069
BindingDB Entry DOI: 10.7270/Q2ZP477R |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392405
(CHEMBL2151646)Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C63H84N18O14/c1-34(2)25-45(56(89)72-43(19-12-24-70-62(68)69-3)55(88)73-44(53(67)86)27-35-13-6-4-7-14-35)79-63(95)81-80-61(94)46(28-36-15-8-5-9-16-36)75-60(93)50(33-82)78-59(92)49(31-52(66)85)77-57(90)47(29-38-32-71-42-18-11-10-17-40(38)42)76-58(91)48(30-51(65)84)74-54(87)41(64)26-37-20-22-39(83)23-21-37/h4-11,13-18,20-23,32,34,41,43-50,71,82-83H,12,19,24-31,33,64H2,1-3H3,(H2,65,84)(H2,66,85)(H2,67,86)(H,72,89)(H,73,88)(H,74,87)(H,75,93)(H,76,91)(H,77,90)(H,78,92)(H,80,94)(H3,68,69,70)(H2,79,81,95)/t41-,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis |
Bioorg Med Chem Lett 22: 6391-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.069
BindingDB Entry DOI: 10.7270/Q2ZP477R |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50442964
(CHEMBL3085809)Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C59H78N16O12/c1-33(2)25-44(53(82)67-42(19-12-24-65-58(63)64-3)52(81)68-43(50(62)79)27-34-13-6-4-7-14-34)73-59(87)75-74-57(86)45(28-35-15-8-5-9-16-35)70-56(85)48(32-76)72-55(84)47(30-49(61)78)71-54(83)46(29-37-31-66-41-18-11-10-17-39(37)41)69-51(80)40(60)26-36-20-22-38(77)23-21-36/h4-11,13-18,20-23,31,33,40,42-48,66,76-77H,12,19,24-30,32,60H2,1-3H3,(H2,61,78)(H2,62,79)(H,67,82)(H,68,81)(H,69,80)(H,70,85)(H,71,83)(H,72,84)(H,74,86)(H3,63,64,65)(H2,73,75,87)/t40-,42+,43+,44+,45+,46+,47+,48+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0570 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50508241
(CHEMBL4451244)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C38H55N11O6/c1-22(2)18-30(47-38(55)49-48-36(54)31(46-33(51)23(3)4)19-24-12-7-6-8-13-24)35(53)44-28(16-11-17-42-37(40)41-5)34(52)45-29(32(39)50)20-25-21-43-27-15-10-9-14-26(25)27/h6-10,12-15,21-23,28-31,43H,11,16-20H2,1-5H3,(H2,39,50)(H,44,53)(H,45,52)(H,46,51)(H,48,54)(H3,40,41,42)(H2,47,49,55)/t28-,29-,30-,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0580 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392401
(CHEMBL2151642)Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C64H85N17O14/c1-35(2)25-46(59(91)75-44(19-12-24-71-64(69)70-3)58(90)76-45(55(68)87)27-36-13-6-4-7-14-36)74-54(86)33-73-57(89)47(28-37-15-8-5-9-16-37)78-63(95)51(34-82)81-62(94)50(31-53(67)85)80-60(92)48(29-39-32-72-43-18-11-10-17-41(39)43)79-61(93)49(30-52(66)84)77-56(88)42(65)26-38-20-22-40(83)23-21-38/h4-11,13-18,20-23,32,35,42,44-51,72,82-83H,12,19,24-31,33-34,65H2,1-3H3,(H2,66,84)(H2,67,85)(H2,68,87)(H,73,89)(H,74,86)(H,75,91)(H,76,90)(H,77,88)(H,78,95)(H,79,93)(H,80,92)(H,81,94)(H3,69,70,71)/t42-,44+,45+,46+,47+,48+,49+,50+,51+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0650 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis |
Bioorg Med Chem Lett 22: 6391-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.069
BindingDB Entry DOI: 10.7270/Q2ZP477R |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392488
(CHEMBL2152058)Show SMILES CCNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:5.5| Show InChI InChI=1S/C65H87N17O14/c1-4-71-65(70)72-25-13-20-45(59(91)77-46(56(69)88)28-37-14-7-5-8-15-37)76-60(92)47(26-36(2)3)75-55(87)34-74-58(90)48(29-38-16-9-6-10-17-38)79-64(96)52(35-83)82-63(95)51(32-54(68)86)81-61(93)49(30-40-33-73-44-19-12-11-18-42(40)44)80-62(94)50(31-53(67)85)78-57(89)43(66)27-39-21-23-41(84)24-22-39/h5-12,14-19,21-24,33,36,43,45-52,73,83-84H,4,13,20,25-32,34-35,66H2,1-3H3,(H2,67,85)(H2,68,86)(H2,69,88)(H,74,90)(H,75,87)(H,76,92)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,93)(H,82,95)(H3,70,71,72)/t43-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0650 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay |
Bioorg Med Chem Lett 22: 6328-32 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.087
BindingDB Entry DOI: 10.7270/Q22F7PJT |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM26349
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:83.86,72.75,12.20,29.34,37.50,51.58,59.62,wD:4.4,23.26,(23.93,-21.81,;22.46,-22.29,;22.15,-23.79,;21.33,-21.26,;21.65,-19.76,;20.51,-18.74,;19.04,-19.2,;18.73,-20.72,;17.9,-18.17,;16.44,-18.65,;15.29,-17.62,;15.61,-16.12,;13.83,-18.1,;12.69,-17.06,;13.01,-15.57,;11.86,-14.54,;12.18,-13.03,;13.65,-12.55,;14.79,-13.59,;14.47,-15.08,;13.51,-19.6,;12.05,-20.08,;10.9,-19.05,;11.73,-21.57,;12.87,-22.61,;14.34,-22.12,;10.27,-22.05,;9.94,-23.55,;11.09,-24.58,;8.49,-24.03,;7.34,-23,;7.67,-21.49,;6.52,-20.46,;9.12,-21.02,;8.16,-25.53,;6.7,-26.01,;5.56,-24.98,;6.38,-27.51,;4.92,-27.99,;4.6,-29.49,;5.63,-30.63,;4.86,-31.97,;3.35,-31.65,;2.11,-32.56,;.71,-31.92,;.55,-30.4,;1.79,-29.49,;3.2,-30.12,;7.53,-28.54,;8.98,-28.07,;9.31,-26.56,;10.13,-29.1,;9.81,-30.6,;8.35,-31.08,;8.02,-32.58,;7.2,-30.05,;11.59,-28.62,;12.74,-29.65,;12.42,-31.16,;14.21,-29.18,;14.52,-27.67,;15.34,-30.2,;16.8,-29.73,;17.12,-28.22,;18.58,-27.75,;19.72,-28.77,;21.19,-28.3,;19.41,-30.28,;17.94,-30.75,;23.11,-19.28,;23.42,-17.77,;24.24,-20.31,;25.71,-19.83,;26.03,-18.32,;27.49,-17.85,;27.81,-16.34,;29.28,-15.87,;29.59,-14.36,;28.45,-13.34,;31.06,-13.9,;26.85,-20.86,;26.53,-22.37,;28.32,-20.39,;29.46,-21.42,;30.93,-20.94,;32.07,-21.97,;33.53,-21.49,;34.68,-22.52,;34.35,-24.03,;32.89,-24.5,;31.75,-23.47,;29.14,-22.92,;27.68,-23.4,;30.28,-23.95,)| Show InChI InChI=1S/C63H83N17O14/c1-34(2)24-45(58(90)74-43(18-11-23-70-63(68)69)57(89)75-44(54(67)86)26-35-12-5-3-6-13-35)73-53(85)32-72-56(88)46(27-36-14-7-4-8-15-36)77-62(94)50(33-81)80-61(93)49(30-52(66)84)79-59(91)47(28-38-31-71-42-17-10-9-16-40(38)42)78-60(92)48(29-51(65)83)76-55(87)41(64)25-37-19-21-39(82)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,71,81-82H,11,18,23-30,32-33,64H2,1-2H3,(H2,65,83)(H2,66,84)(H2,67,86)(H,72,88)(H,73,85)(H,74,90)(H,75,89)(H,76,87)(H,77,94)(H,78,92)(H,79,91)(H,80,93)(H4,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0650 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay |
Bioorg Med Chem Lett 22: 6328-32 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.087
BindingDB Entry DOI: 10.7270/Q22F7PJT |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50508220
(CHEMBL4541289)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C40H52N12O6/c1-24(2)20-32(50-40(58)52-51-38(57)33(21-25-10-5-4-6-11-25)49-35(54)26-15-18-44-19-16-26)37(56)47-30(14-9-17-45-39(42)43-3)36(55)48-31(34(41)53)22-27-23-46-29-13-8-7-12-28(27)29/h4-8,10-13,15-16,18-19,23-24,30-33,46H,9,14,17,20-22H2,1-3H3,(H2,41,53)(H,47,56)(H,48,55)(H,49,54)(H,51,57)(H3,42,43,45)(H2,50,52,58)/t30-,31-,32-,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0680 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50082074
(CHEMBL3422408)Show SMILES CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)n1cc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)nn1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a |
UMR7247; Universit£ Fran£ois Rabelais Tours; IFCE)
Curated by ChEMBL
| Assay Description
Agonist activity at human wild-type KISS1R expressed in HEK293 cells assessed as induction of intracellular Ca2+ mobilization after 30 mins by Fluo4 ... |
J Med Chem 58: 3459-70 (2015)
Article DOI: 10.1021/jm5019675
BindingDB Entry DOI: 10.7270/Q2JD4ZHJ |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50082073
(CHEMBL3422407)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a |
UMR7247; Universit£ Fran£ois Rabelais Tours; IFCE)
Curated by ChEMBL
| Assay Description
Agonist activity at human wild-type KISS1R expressed in HEK293 cells assessed as induction of intracellular Ca2+ mobilization after 30 mins by Fluo4 ... |
J Med Chem 58: 3459-70 (2015)
Article DOI: 10.1021/jm5019675
BindingDB Entry DOI: 10.7270/Q2JD4ZHJ |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392413
(CHEMBL2151654)Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C63H84N18O14/c1-34(2)25-45(56(89)72-43(19-12-24-70-62(68)69-3)55(88)73-44(53(67)86)27-35-13-6-4-7-14-35)79-63(95)81-80-61(94)46(28-36-15-8-5-9-16-36)75-60(93)50(33-82)78-59(92)49(31-52(66)85)77-57(90)47(29-38-32-71-42-18-11-10-17-40(38)42)76-58(91)48(30-51(65)84)74-54(87)41(64)26-37-20-22-39(83)23-21-37/h4-11,13-18,20-23,32,34,41,43-50,71,82-83H,12,19,24-31,33,64H2,1-3H3,(H2,65,84)(H2,66,85)(H2,67,86)(H,72,89)(H,73,88)(H,74,87)(H,75,93)(H,76,91)(H,77,90)(H,78,92)(H,80,94)(H3,68,69,70)(H2,79,81,95)/t41-,43+,44+,45+,46+,47-,48+,49+,50+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0720 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis |
Bioorg Med Chem Lett 22: 6391-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.069
BindingDB Entry DOI: 10.7270/Q2ZP477R |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50196431
(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 |r| Show InChI InChI=1S/C64H82FN17O13/c1-33(2)24-48(57(89)74-46(18-11-23-70-63(68)69-5)56(88)75-47(55(67)87)28-38-31-71-44-16-8-6-14-42(38)44)79-64(95)82-81-61(93)50(27-37-12-10-13-40(65)25-37)78-62(94)54(34(3)83)80-60(92)52(30-53(66)86)77-59(91)51(29-39-32-72-45-17-9-7-15-43(39)45)76-58(90)49(73-35(4)84)26-36-19-21-41(85)22-20-36/h6-10,12-17,19-22,25,31-34,46-52,54,71-72,83,85H,11,18,23-24,26-30H2,1-5H3,(H2,66,86)(H2,67,87)(H,73,84)(H,74,89)(H,75,88)(H,76,90)(H,77,91)(H,78,94)(H,80,92)(H,81,93)(H3,68,69,70)(H2,79,82,95)/t34-,46+,47+,48+,49-,50+,51+,52+,54+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0730 | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50082068
(CHEMBL3422414)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C62H89N17O17/c1-33(2)25-44(57(92)74-42(14-10-24-69-62(66)67)55(90)75-43(53(65)88)26-37-15-19-39(83)20-16-37)72-52(87)31-70-54(89)45(27-36-11-6-5-7-12-36)76-61(96)49(32-80)79-60(95)48(30-51(64)86)77-56(91)41(13-8-9-23-68-34(3)81)73-59(94)47(29-50(63)85)78-58(93)46(71-35(4)82)28-38-17-21-40(84)22-18-38/h5-7,11-12,15-22,33,41-49,80,83-84H,8-10,13-14,23-32H2,1-4H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,68,81)(H,70,89)(H,71,82)(H,72,87)(H,73,94)(H,74,92)(H,75,90)(H,76,96)(H,77,91)(H,78,93)(H,79,95)(H4,66,67,69)/t41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a |
UMR7247; Universit£ Fran£ois Rabelais Tours; IFCE)
Curated by ChEMBL
| Assay Description
Agonist activity at human wild-type KISS1R expressed in HEK293 cells assessed as induction of intracellular Ca2+ mobilization after 30 mins by Fluo4 ... |
J Med Chem 58: 3459-70 (2015)
Article DOI: 10.1021/jm5019675
BindingDB Entry DOI: 10.7270/Q2JD4ZHJ |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50045513
(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 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0870 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392412
(CHEMBL2151653)Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C65H85N17O14/c1-36(2)27-47(58(90)73-45(19-12-26-72-64(70)71-3)57(89)74-46(55(69)87)30-37-13-6-4-7-14-37)80-65(96)82-81-63(95)49(31-38-15-8-5-9-16-38)77-62(94)52(35-83)79-61(93)51(34-54(68)86)78-59(91)48(32-40-20-23-41-17-10-11-18-42(41)28-40)76-60(92)50(33-53(67)85)75-56(88)44(66)29-39-21-24-43(84)25-22-39/h4-11,13-18,20-25,28,36,44-52,83-84H,12,19,26-27,29-35,66H2,1-3H3,(H2,67,85)(H2,68,86)(H2,69,87)(H,73,90)(H,74,89)(H,75,88)(H,76,92)(H,77,94)(H,78,91)(H,79,93)(H,81,95)(H3,70,71,72)(H2,80,82,96)/t44-,45+,46+,47+,48+,49+,50+,51+,52+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0980 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis |
Bioorg Med Chem Lett 22: 6391-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.069
BindingDB Entry DOI: 10.7270/Q2ZP477R |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50082067
(CHEMBL3422413)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
UMR7247; Universit£ Fran£ois Rabelais Tours; IFCE)
Curated by ChEMBL
| Assay Description
Agonist activity at human wild-type KISS1R expressed in HEK293 cells assessed as induction of intracellular Ca2+ mobilization after 30 mins by Fluo4 ... |
J Med Chem 58: 3459-70 (2015)
Article DOI: 10.1021/jm5019675
BindingDB Entry DOI: 10.7270/Q2JD4ZHJ |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392409
(CHEMBL2151650)Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C61H89N17O14/c1-34(2)26-43(54(86)69-41(20-13-25-68-60(66)67-3)53(85)70-42(51(65)83)28-35-14-7-4-8-15-35)76-61(92)78-77-59(91)45(30-37-18-11-6-12-19-37)73-58(90)48(33-79)75-57(89)47(32-50(64)82)74-55(87)44(29-36-16-9-5-10-17-36)72-56(88)46(31-49(63)81)71-52(84)40(62)27-38-21-23-39(80)24-22-38/h4,6-8,11-12,14-15,18-19,21-24,34,36,40-48,79-80H,5,9-10,13,16-17,20,25-33,62H2,1-3H3,(H2,63,81)(H2,64,82)(H2,65,83)(H,69,86)(H,70,85)(H,71,84)(H,72,88)(H,73,90)(H,74,87)(H,75,89)(H,77,91)(H3,66,67,68)(H2,76,78,92)/t40-,41+,42+,43+,44+,45+,46+,47+,48+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis |
Bioorg Med Chem Lett 22: 6391-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.069
BindingDB Entry DOI: 10.7270/Q2ZP477R |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392411
(CHEMBL2151652)Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C60H82N18O14/c1-33(2)25-42(53(86)69-40(15-10-22-68-59(65)66-3)52(85)70-41(50(64)83)27-34-11-6-4-7-12-34)76-60(92)78-77-58(91)44(28-35-13-8-5-9-14-35)73-57(90)47(32-79)75-56(89)46(31-49(63)82)74-54(87)43(29-37-20-23-67-24-21-37)72-55(88)45(30-48(62)81)71-51(84)39(61)26-36-16-18-38(80)19-17-36/h4-9,11-14,16-21,23-24,33,39-47,79-80H,10,15,22,25-32,61H2,1-3H3,(H2,62,81)(H2,63,82)(H2,64,83)(H,69,86)(H,70,85)(H,71,84)(H,72,88)(H,73,90)(H,74,87)(H,75,89)(H,77,91)(H3,65,66,68)(H2,76,78,92)/t39-,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.110 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis |
Bioorg Med Chem Lett 22: 6391-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.069
BindingDB Entry DOI: 10.7270/Q2ZP477R |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50508237
(CHEMBL4473151)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccoc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C39H51N11O7/c1-23(2)18-31(48-39(56)50-49-37(55)32(19-24-10-5-4-6-11-24)47-34(52)25-15-17-57-22-25)36(54)45-29(14-9-16-43-38(41)42-3)35(53)46-30(33(40)51)20-26-21-44-28-13-8-7-12-27(26)28/h4-8,10-13,15,17,21-23,29-32,44H,9,14,16,18-20H2,1-3H3,(H2,40,51)(H,45,54)(H,46,53)(H,47,52)(H,49,55)(H3,41,42,43)(H2,48,50,56)/t29-,30-,31-,32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.110 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50508233
(CHEMBL4584512)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C41H59N11O6/c1-25(2)21-33(50-41(58)52-51-39(57)34(22-26-13-6-4-7-14-26)49-36(54)27-15-8-5-9-16-27)38(56)47-31(19-12-20-45-40(43)44-3)37(55)48-32(35(42)53)23-28-24-46-30-18-11-10-17-29(28)30/h4,6-7,10-11,13-14,17-18,24-25,27,31-34,46H,5,8-9,12,15-16,19-23H2,1-3H3,(H2,42,53)(H,47,56)(H,48,55)(H,49,54)(H,51,57)(H3,43,44,45)(H2,50,52,58)/t31-,32-,33-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50508236
(CHEMBL4563528)Show SMILES CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C37H53N11O6/c1-5-31(49)43-30(19-23-12-7-6-8-13-23)35(53)47-48-37(54)46-29(18-22(2)3)34(52)44-27(16-11-17-41-36(39)40-4)33(51)45-28(32(38)50)20-24-21-42-26-15-10-9-14-25(24)26/h6-10,12-15,21-22,27-30,42H,5,11,16-20H2,1-4H3,(H2,38,50)(H,43,49)(H,44,52)(H,45,51)(H,47,53)(H3,39,40,41)(H2,46,48,54)/t27-,28-,29-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50508231
(CHEMBL4459547)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C50H68N14O10/c1-29(2)23-37(45(70)58-35(19-12-22-55-49(53)54-3)44(69)59-36(43(52)68)24-30-13-6-4-7-14-30)62-50(74)64-63-48(73)38(25-31-15-8-5-9-16-31)60-47(72)40(28-65)61-46(71)39(26-41(51)66)57-42(67)21-20-32-27-56-34-18-11-10-17-33(32)34/h4-11,13-18,27,29,35-40,56,65H,12,19-26,28H2,1-3H3,(H2,51,66)(H2,52,68)(H,57,67)(H,58,70)(H,59,69)(H,60,72)(H,61,71)(H,63,73)(H3,53,54,55)(H2,62,64,74)/t35-,36-,37-,38-,39-,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392491
(CHEMBL2152061)Show SMILES CNC(N)=NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C65H87N17O14/c1-36(2)26-47(60(92)76-45(20-12-13-25-72-65(70)71-3)59(91)77-46(56(69)88)28-37-14-6-4-7-15-37)75-55(87)34-74-58(90)48(29-38-16-8-5-9-17-38)79-64(96)52(35-83)82-63(95)51(32-54(68)86)81-61(93)49(30-40-33-73-44-19-11-10-18-42(40)44)80-62(94)50(31-53(67)85)78-57(89)43(66)27-39-21-23-41(84)24-22-39/h4-11,14-19,21-24,33,36,43,45-52,73,83-84H,12-13,20,25-32,34-35,66H2,1-3H3,(H2,67,85)(H2,68,86)(H2,69,88)(H,74,90)(H,75,87)(H,76,92)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,93)(H,82,95)(H3,70,71,72)/t43-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay |
Bioorg Med Chem Lett 22: 6328-32 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.087
BindingDB Entry DOI: 10.7270/Q22F7PJT |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392408
(CHEMBL2151649)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)NC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:70.71| Show InChI InChI=1S/C58H85N17O14/c1-6-32(4)47(73-53(85)43(29-46(61)79)68-49(81)37(59)25-35-19-21-36(77)22-20-35)56(88)70-42(28-45(60)78)52(84)71-44(30-76)54(86)69-41(27-34-16-11-8-12-17-34)55(87)74-75-58(89)72-40(24-31(2)3)51(83)66-38(18-13-23-65-57(63)64-5)50(82)67-39(48(62)80)26-33-14-9-7-10-15-33/h7-12,14-17,19-22,31-32,37-44,47,76-77H,6,13,18,23-30,59H2,1-5H3,(H2,60,78)(H2,61,79)(H2,62,80)(H,66,83)(H,67,82)(H,68,81)(H,69,86)(H,70,88)(H,71,84)(H,73,85)(H,74,87)(H3,63,64,65)(H2,72,75,89)/t32-,37+,38-,39-,40-,41-,42-,43-,44-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis |
Bioorg Med Chem Lett 22: 6391-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.069
BindingDB Entry DOI: 10.7270/Q2ZP477R |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392492
(CHEMBL2152062)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:59.62,37.50,23.26,72.75,wD:51.58,29.34,12.20,4.4,82.85,(21.35,-5.83,;21.35,-4.29,;22.67,-3.52,;20.01,-3.52,;20.01,-1.98,;18.68,-1.21,;17.35,-1.98,;17.35,-3.52,;16.01,-1.21,;14.68,-1.98,;13.34,-1.21,;13.34,.33,;12.01,-1.98,;12.01,-3.52,;13.34,-4.29,;14.68,-3.52,;16.02,-4.29,;16.02,-5.83,;14.68,-6.6,;13.34,-5.83,;10.67,-1.21,;9.35,-1.98,;9.35,-3.52,;8,-1.21,;8,.33,;9.35,1.1,;6.67,-1.98,;5.34,-1.21,;5.34,.33,;4,-1.98,;4,-3.52,;5.34,-4.29,;6.67,-3.52,;5.34,-5.83,;2.67,-1.21,;1.34,-1.98,;1.34,-3.52,;-.01,-1.21,;-.01,.33,;1.34,1.1,;2.74,.48,;3.77,1.62,;3,2.96,;3.48,4.42,;2.46,5.57,;.94,5.24,;.47,3.78,;1.5,2.64,;-1.33,-1.98,;-2.67,-1.21,;-2.67,.33,;-4,-1.98,;-4,-3.52,;-2.67,-4.29,;-1.33,-3.52,;-2.67,-5.83,;-5.33,-1.21,;-6.67,-1.98,;-6.67,-3.52,;-8.01,-1.21,;-9.34,-1.98,;-8.01,.33,;-6.67,1.1,;-5.33,.33,;-4,1.1,;-4,2.64,;-2.67,3.41,;-5.33,3.41,;-6.67,2.64,;21.35,-1.21,;21.35,.33,;22.67,-1.98,;24.02,-1.21,;24.02,.34,;25.36,1.12,;25.36,2.66,;26.7,3.44,;26.71,4.99,;28.04,2.66,;25.35,-1.98,;25.35,-3.52,;26.68,-1.21,;28.02,-1.98,;28.02,-3.52,;29.35,-4.29,;30.69,-3.52,;32.03,-4.29,;32.03,-5.83,;30.68,-6.6,;29.35,-5.83,;29.35,-1.21,;30.68,-1.98,;29.35,.33,)| Show InChI InChI=1S/C62H81N17O14/c1-33(2)23-44(57(89)73-42(21-22-69-62(67)68)56(88)74-43(53(66)85)25-34-11-5-3-6-12-34)72-52(84)31-71-55(87)45(26-35-13-7-4-8-14-35)76-61(93)49(32-80)79-60(92)48(29-51(65)83)78-58(90)46(27-37-30-70-41-16-10-9-15-39(37)41)77-59(91)47(28-50(64)82)75-54(86)40(63)24-36-17-19-38(81)20-18-36/h3-20,30,33,40,42-49,70,80-81H,21-29,31-32,63H2,1-2H3,(H2,64,82)(H2,65,83)(H2,66,85)(H,71,87)(H,72,84)(H,73,89)(H,74,88)(H,75,86)(H,76,93)(H,77,91)(H,78,90)(H,79,92)(H4,67,68,69)/t40-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay |
Bioorg Med Chem Lett 22: 6328-32 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.087
BindingDB Entry DOI: 10.7270/Q22F7PJT |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50508218
(CHEMBL4536531)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C40H52N12O6/c1-24(2)19-32(50-40(58)52-51-38(57)33(20-25-11-5-4-6-12-25)49-35(54)26-13-9-17-44-22-26)37(56)47-30(16-10-18-45-39(42)43-3)36(55)48-31(34(41)53)21-27-23-46-29-15-8-7-14-28(27)29/h4-9,11-15,17,22-24,30-33,46H,10,16,18-21H2,1-3H3,(H2,41,53)(H,47,56)(H,48,55)(H,49,54)(H,51,57)(H3,42,43,45)(H2,50,52,58)/t30-,31-,32-,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.160 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50508230
(CHEMBL4439387)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C48H67N13O10/c1-29(2)24-35(43(67)55-33(20-13-23-53-47(51)52-3)42(66)56-34(41(50)65)25-31-16-9-5-10-17-31)59-48(71)61-60-46(70)36(26-32-18-11-6-12-19-32)57-45(69)38(28-62)58-44(68)37(27-39(49)63)54-40(64)22-21-30-14-7-4-8-15-30/h4-12,14-19,29,33-38,62H,13,20-28H2,1-3H3,(H2,49,63)(H2,50,65)(H,54,64)(H,55,67)(H,56,66)(H,57,69)(H,58,68)(H,60,70)(H3,51,52,53)(H2,59,61,71)/t33-,34-,35-,36-,37-,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50508224
(CHEMBL4470916)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C39H52N12O6/c1-23(2)19-31(49-39(57)51-50-37(56)32(20-24-11-5-4-6-12-24)48-34(53)28-15-9-17-43-28)36(55)46-29(16-10-18-44-38(41)42-3)35(54)47-30(33(40)52)21-25-22-45-27-14-8-7-13-26(25)27/h4-9,11-15,17,22-23,29-32,43,45H,10,16,18-21H2,1-3H3,(H2,40,52)(H,46,55)(H,47,54)(H,48,53)(H,50,56)(H3,41,42,44)(H2,49,51,57)/t29-,30-,31-,32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.230 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392410
(CHEMBL2151651)Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C60H82N18O14/c1-33(2)24-42(53(86)69-40(17-11-23-68-59(65)66-3)52(85)70-41(50(64)83)26-34-12-6-4-7-13-34)76-60(92)78-77-58(91)44(27-35-14-8-5-9-15-35)73-57(90)47(32-79)75-56(89)46(30-49(63)82)74-54(87)43(28-37-16-10-22-67-31-37)72-55(88)45(29-48(62)81)71-51(84)39(61)25-36-18-20-38(80)21-19-36/h4-10,12-16,18-22,31,33,39-47,79-80H,11,17,23-30,32,61H2,1-3H3,(H2,62,81)(H2,63,82)(H2,64,83)(H,69,86)(H,70,85)(H,71,84)(H,72,88)(H,73,90)(H,74,87)(H,75,89)(H,77,91)(H3,65,66,68)(H2,76,78,92)/t39-,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.240 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis |
Bioorg Med Chem Lett 22: 6391-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.069
BindingDB Entry DOI: 10.7270/Q2ZP477R |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392407
(CHEMBL2151648)Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C56H81N17O15/c1-29(2)22-38(49(82)64-36(16-11-21-63-55(61)62-4)48(81)65-37(46(60)79)24-31-12-7-5-8-13-31)70-56(88)73-72-53(86)39(25-32-14-9-6-10-15-32)67-52(85)42(28-74)69-50(83)40(26-43(58)77)68-54(87)45(30(3)75)71-51(84)41(27-44(59)78)66-47(80)35(57)23-33-17-19-34(76)20-18-33/h5-10,12-15,17-20,29-30,35-42,45,74-76H,11,16,21-28,57H2,1-4H3,(H2,58,77)(H2,59,78)(H2,60,79)(H,64,82)(H,65,81)(H,66,80)(H,67,85)(H,68,87)(H,69,83)(H,71,84)(H,72,86)(H3,61,62,63)(H2,70,73,88)/t30-,35-,36+,37+,38+,39+,40+,41+,42+,45+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.240 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis |
Bioorg Med Chem Lett 22: 6391-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.069
BindingDB Entry DOI: 10.7270/Q2ZP477R |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50508223
(CHEMBL4538305)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C38H51N13O6/c1-22(2)16-29(49-38(57)51-50-36(56)30(17-23-10-5-4-6-11-23)48-35(55)31-20-42-21-45-31)34(54)46-27(14-9-15-43-37(40)41-3)33(53)47-28(32(39)52)18-24-19-44-26-13-8-7-12-25(24)26/h4-8,10-13,19-22,27-30,44H,9,14-18H2,1-3H3,(H2,39,52)(H,42,45)(H,46,54)(H,47,53)(H,48,55)(H,50,56)(H3,40,41,43)(H2,49,51,57)/t27-,28-,29-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.240 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50442961
(CHEMBL3086284)Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C56H76N16O12/c1-32(2)25-41(50(79)64-39(15-10-22-63-55(60)61-3)49(78)65-40(47(59)76)27-33-11-6-4-7-12-33)70-56(84)72-71-54(83)43(28-34-13-8-5-9-14-34)67-53(82)45(31-73)69-52(81)44(30-46(58)75)68-51(80)42(29-36-20-23-62-24-21-36)66-48(77)38(57)26-35-16-18-37(74)19-17-35/h4-9,11-14,16-21,23-24,32,38-45,73-74H,10,15,22,25-31,57H2,1-3H3,(H2,58,75)(H2,59,76)(H,64,79)(H,65,78)(H,66,77)(H,67,82)(H,68,80)(H,69,81)(H,71,83)(H3,60,61,63)(H2,70,72,84)/t38-,39+,40+,41+,42-,43+,44+,45+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392482
(CHEMBL2152052)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C63H83N15O14/c1-35(2)25-46(59(88)72-44(19-11-12-24-64)58(87)73-45(55(68)84)27-36-13-5-3-6-14-36)71-54(83)33-70-57(86)47(28-37-15-7-4-8-16-37)75-63(92)51(34-79)78-62(91)50(31-53(67)82)77-60(89)48(29-39-32-69-43-18-10-9-17-41(39)43)76-61(90)49(30-52(66)81)74-56(85)42(65)26-38-20-22-40(80)23-21-38/h3-10,13-18,20-23,32,35,42,44-51,69,79-80H,11-12,19,24-31,33-34,64-65H2,1-2H3,(H2,66,81)(H2,67,82)(H2,68,84)(H,70,86)(H,71,83)(H,72,88)(H,73,87)(H,74,85)(H,75,92)(H,76,90)(H,77,89)(H,78,91)/t42-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay |
Bioorg Med Chem Lett 22: 6328-32 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.087
BindingDB Entry DOI: 10.7270/Q22F7PJT |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50508222
(CHEMBL4468499)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C42H55N11O6/c1-26(2)21-34(51-42(59)53-52-40(58)35(22-27-13-6-4-7-14-27)48-36(54)23-28-15-8-5-9-16-28)39(57)49-32(19-12-20-46-41(44)45-3)38(56)50-33(37(43)55)24-29-25-47-31-18-11-10-17-30(29)31/h4-11,13-18,25-26,32-35,47H,12,19-24H2,1-3H3,(H2,43,55)(H,48,54)(H,49,57)(H,50,56)(H,52,58)(H3,44,45,46)(H2,51,53,59)/t32-,33-,34-,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392484
(CHEMBL2152054)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C62H81N15O14/c1-34(2)24-45(58(87)71-43(18-11-23-63)57(86)72-44(54(67)83)26-35-12-5-3-6-13-35)70-53(82)32-69-56(85)46(27-36-14-7-4-8-15-36)74-62(91)50(33-78)77-61(90)49(30-52(66)81)76-59(88)47(28-38-31-68-42-17-10-9-16-40(38)42)75-60(89)48(29-51(65)80)73-55(84)41(64)25-37-19-21-39(79)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,68,78-79H,11,18,23-30,32-33,63-64H2,1-2H3,(H2,65,80)(H2,66,81)(H2,67,83)(H,69,85)(H,70,82)(H,71,87)(H,72,86)(H,73,84)(H,74,91)(H,75,89)(H,76,88)(H,77,90)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.290 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay |
Bioorg Med Chem Lett 22: 6328-32 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.087
BindingDB Entry DOI: 10.7270/Q22F7PJT |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50045506
(CHEMBL3314223)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay |
J Med Chem 57: 6105-15 (2014)
Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50045500
(CHEMBL3314217)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.310 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay |
J Med Chem 57: 6105-15 (2014)
Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50392487
(CHEMBL2152057)Show SMILES CNC(NC)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:72.75,50.63,36.39,9.9,wD:64.71,42.47,25.33,13.17,85.88,(24.46,-25.66,;24.45,-27.2,;25.79,-27.98,;27.13,-27.21,;28.47,-27.98,;25.79,-29.53,;24.45,-30.3,;24.45,-31.85,;23.11,-32.62,;23.1,-34.17,;21.76,-34.94,;20.44,-34.17,;20.44,-32.63,;19.1,-34.94,;19.1,-36.48,;20.44,-37.25,;20.44,-38.79,;21.76,-36.48,;17.77,-34.17,;16.44,-34.94,;16.44,-36.48,;15.1,-34.17,;13.78,-34.94,;12.44,-34.17,;12.44,-32.63,;11.11,-34.94,;11.11,-36.48,;12.44,-37.25,;13.78,-36.48,;15.11,-37.25,;15.11,-38.79,;13.78,-39.56,;12.44,-38.78,;9.77,-34.17,;8.45,-34.94,;8.45,-36.48,;7.11,-34.17,;7.11,-32.63,;8.45,-31.87,;5.77,-34.94,;4.44,-34.17,;4.44,-32.63,;3.11,-34.94,;3.11,-36.48,;4.44,-37.25,;5.77,-36.48,;4.44,-38.79,;1.78,-34.17,;.44,-34.94,;.44,-36.48,;-.9,-34.17,;-.9,-32.63,;.44,-31.86,;1.85,-32.49,;2.87,-31.34,;2.11,-30.01,;2.58,-28.55,;1.56,-27.4,;.05,-27.73,;-.43,-29.19,;.6,-30.32,;-2.22,-34.94,;-3.56,-34.17,;-3.56,-32.63,;-4.89,-34.94,;-4.89,-36.48,;-3.56,-37.25,;-2.22,-36.48,;-3.56,-38.79,;-6.22,-34.17,;-7.56,-34.94,;-7.56,-36.48,;-8.89,-34.17,;-10.22,-34.94,;-8.89,-32.63,;-7.56,-31.86,;-6.22,-32.63,;-4.89,-31.86,;-4.89,-30.33,;-3.56,-29.55,;-6.22,-29.55,;-7.56,-30.32,;24.44,-34.94,;24.44,-36.48,;25.77,-34.17,;27.1,-34.94,;27.1,-36.48,;28.43,-37.25,;29.77,-36.48,;31.11,-37.25,;31.11,-38.79,;29.77,-39.56,;28.43,-38.78,;28.43,-34.17,;29.77,-34.94,;28.43,-32.63,)| Show InChI InChI=1S/C65H87N17O14/c1-36(2)26-47(60(92)76-45(20-13-25-72-65(70-3)71-4)59(91)77-46(56(69)88)28-37-14-7-5-8-15-37)75-55(87)34-74-58(90)48(29-38-16-9-6-10-17-38)79-64(96)52(35-83)82-63(95)51(32-54(68)86)81-61(93)49(30-40-33-73-44-19-12-11-18-42(40)44)80-62(94)50(31-53(67)85)78-57(89)43(66)27-39-21-23-41(84)24-22-39/h5-12,14-19,21-24,33,36,43,45-52,73,83-84H,13,20,25-32,34-35,66H2,1-4H3,(H2,67,85)(H2,68,86)(H2,69,88)(H,74,90)(H,75,87)(H,76,92)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,93)(H,82,95)(H2,70,71,72)/t43-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.320 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay |
Bioorg Med Chem Lett 22: 6328-32 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.087
BindingDB Entry DOI: 10.7270/Q22F7PJT |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50508228
(CHEMBL4557192)Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C34H50N10O6/c1-21(2)18-27(42-34(50)44-43-32(49)28(39-22(3)45)20-24-14-9-6-10-15-24)31(48)40-25(16-11-17-38-33(36)37-4)30(47)41-26(29(35)46)19-23-12-7-5-8-13-23/h5-10,12-15,21,25-28H,11,16-20H2,1-4H3,(H2,35,46)(H,39,45)(H,40,48)(H,41,47)(H,43,49)(H3,36,37,38)(H2,42,44,50)/t25-,26-,27-,28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.330 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4... |
Bioorg Med Chem Lett 29: 654-658 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.016
BindingDB Entry DOI: 10.7270/Q2JD513C |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50045507
(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 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.330 | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50045507
(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 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.330 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay |
J Med Chem 57: 6105-15 (2014)
Article DOI: 10.1021/jm5005489
BindingDB Entry DOI: 10.7270/Q2SF2XSG |
More data for this
Ligand-Target Pair | |
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