Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50040315 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)) | 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)) | BDBM50392498
(CHEMBL2152151)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](CNC(=O)CN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:59.62,37.50,23.26,72.75,wD:51.58,29.34,12.20,4.4,85.88,(21.01,-40.02,;21.01,-38.48,;22.33,-37.71,;19.67,-37.71,;19.67,-36.17,;18.34,-35.4,;17.01,-36.17,;17.01,-37.71,;15.67,-35.4,;14.35,-36.17,;13.01,-35.4,;13.01,-33.86,;11.68,-36.17,;11.68,-37.71,;13.01,-38.48,;14.35,-37.71,;15.68,-38.48,;15.68,-40.02,;14.35,-40.79,;13.01,-40.02,;10.34,-35.4,;9.02,-36.17,;9.02,-37.71,;7.68,-35.4,;7.68,-33.86,;9.02,-33.1,;6.34,-36.17,;5.01,-35.4,;5.01,-33.86,;3.68,-36.17,;3.68,-37.71,;5.01,-38.48,;6.34,-37.71,;5.01,-40.02,;2.35,-35.4,;1.01,-36.17,;1.01,-37.71,;-.33,-35.4,;-.33,-33.86,;1.01,-33.1,;2.42,-33.72,;3.44,-32.57,;2.68,-31.24,;3.15,-29.78,;2.13,-28.63,;.62,-28.96,;.14,-30.42,;1.17,-31.56,;-1.65,-36.17,;-2.99,-35.4,;-2.99,-33.86,;-4.32,-36.17,;-4.32,-37.71,;-2.99,-38.48,;-1.65,-37.71,;-2.99,-40.02,;-5.65,-35.4,;-6.99,-36.17,;-6.99,-37.71,;-8.32,-35.4,;-9.66,-36.17,;-8.32,-33.86,;-6.99,-33.1,;-5.65,-33.86,;-4.32,-33.1,;-4.32,-31.56,;-2.99,-30.78,;-5.65,-30.79,;-6.99,-31.56,;21.01,-35.4,;21.01,-33.86,;22.33,-36.17,;23.67,-35.4,;23.68,-33.85,;25.02,-33.08,;25.02,-31.53,;26.36,-30.76,;23.68,-30.76,;23.68,-29.21,;22.34,-28.43,;22.34,-26.88,;21,-29.2,;25.01,-36.17,;25.01,-37.71,;26.34,-35.4,;27.67,-36.17,;27.67,-37.71,;29,-38.48,;30.34,-37.71,;31.68,-38.48,;31.68,-40.02,;30.34,-40.79,;29,-40.02,;29,-35.4,;30.34,-36.17,;29,-33.86,)| Show InChI InChI=1S/C63H82N18O15/c1-33(2)21-43(57(91)80-48(29-71-52(86)30-73-63(68)69)61(95)75-42(54(67)88)23-34-11-5-3-6-12-34)74-53(87)31-72-56(90)44(24-35-13-7-4-8-14-35)77-62(96)49(32-82)81-60(94)47(27-51(66)85)79-58(92)45(25-37-28-70-41-16-10-9-15-39(37)41)78-59(93)46(26-50(65)84)76-55(89)40(64)22-36-17-19-38(83)20-18-36/h3-20,28,33,40,42-49,70,82-83H,21-27,29-32,64H2,1-2H3,(H2,65,84)(H2,66,85)(H2,67,88)(H,71,86)(H,72,90)(H,74,87)(H,75,95)(H,76,89)(H,77,96)(H,78,93)(H,79,92)(H,80,91)(H,81,94)(H4,68,69,73)/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 | 2.20 | 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)) | BDBM50392479
(CHEMBL2152049)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](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C63H82N14O14/c1-34(2)23-45(58(86)73-46(24-35(3)4)59(87)71-44(55(67)83)26-36-13-7-5-8-14-36)70-54(82)32-69-57(85)47(27-37-15-9-6-10-16-37)74-63(91)51(33-78)77-62(90)50(30-53(66)81)76-60(88)48(28-39-31-68-43-18-12-11-17-41(39)43)75-61(89)49(29-52(65)80)72-56(84)42(64)25-38-19-21-40(79)22-20-38/h5-22,31,34-35,42,44-51,68,78-79H,23-30,32-33,64H2,1-4H3,(H2,65,80)(H2,66,81)(H2,67,83)(H,69,85)(H,70,82)(H,71,87)(H,72,84)(H,73,86)(H,74,91)(H,75,89)(H,76,88)(H,77,90)/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 | 1.5 | 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)) | BDBM50392480
(CHEMBL2152050)Show SMILES CCCC[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| Show InChI InChI=1S/C63H82N14O14/c1-4-5-19-44(58(86)72-45(55(67)83)27-36-14-8-6-9-15-36)71-59(87)46(25-35(2)3)70-54(82)33-69-57(85)47(28-37-16-10-7-11-17-37)74-63(91)51(34-78)77-62(90)50(31-53(66)81)76-60(88)48(29-39-32-68-43-20-13-12-18-41(39)43)75-61(89)49(30-52(65)80)73-56(84)42(64)26-38-21-23-40(79)24-22-38/h6-18,20-24,32,35,42,44-51,68,78-79H,4-5,19,25-31,33-34,64H2,1-3H3,(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)/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 | 5.80 | 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)) | BDBM50392481
(CHEMBL2152051)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)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C63H82N16O15/c1-34(2)24-45(58(89)73-43(18-11-23-69-63(68)94)57(88)74-44(54(67)85)26-35-12-5-3-6-13-35)72-53(84)32-71-56(87)46(27-36-14-7-4-8-15-36)76-62(93)50(33-80)79-61(92)49(30-52(66)83)78-59(90)47(28-38-31-70-42-17-10-9-16-40(38)42)77-60(91)48(29-51(65)82)75-55(86)41(64)25-37-19-21-39(81)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,70,80-81H,11,18,23-30,32-33,64H2,1-2H3,(H2,65,82)(H2,66,83)(H2,67,85)(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)(H3,68,69,94)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/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 | 7.20 | 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)) | 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)) | BDBM50392483
(CHEMBL2152053)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 |r,wU:59.62,37.50,23.26,wD:51.58,29.34,12.20,4.4,72.75,83.86,(21.58,-37.66,;21.58,-36.13,;22.9,-35.35,;20.24,-35.35,;20.24,-33.81,;18.92,-33.04,;17.58,-33.81,;17.58,-35.35,;16.24,-33.04,;14.92,-33.81,;13.58,-33.04,;13.58,-31.5,;12.25,-33.81,;12.25,-35.35,;13.58,-36.13,;14.92,-35.35,;16.25,-36.12,;16.25,-37.66,;14.92,-38.44,;13.58,-37.66,;10.91,-33.04,;9.59,-33.81,;9.59,-35.35,;8.25,-33.04,;8.25,-31.5,;9.59,-30.74,;6.91,-33.81,;5.58,-33.04,;5.58,-31.5,;4.25,-33.81,;4.25,-35.35,;5.58,-36.12,;6.91,-35.35,;5.58,-37.66,;2.91,-33.04,;1.58,-33.81,;1.58,-35.35,;.24,-33.04,;.24,-31.5,;1.58,-30.74,;2.98,-31.36,;4.01,-30.22,;3.25,-28.88,;3.72,-27.42,;2.7,-26.27,;1.19,-26.6,;.71,-28.06,;1.74,-29.2,;-1.08,-33.81,;-2.42,-33.04,;-2.42,-31.5,;-3.75,-33.81,;-3.75,-35.35,;-2.42,-36.12,;-1.08,-35.35,;-2.42,-37.66,;-5.08,-33.04,;-6.42,-33.81,;-6.42,-35.35,;-7.75,-33.04,;-9.09,-33.81,;-7.75,-31.5,;-6.42,-30.74,;-5.08,-31.5,;-3.75,-30.74,;-3.75,-29.2,;-2.43,-28.43,;-5.08,-28.43,;-6.42,-29.2,;21.58,-33.04,;21.58,-31.5,;22.9,-33.81,;24.25,-33.04,;24.25,-31.49,;25.59,-30.72,;25.59,-29.17,;26.93,-28.4,;26.94,-26.85,;28.28,-26.08,;25.6,-26.08,;25.58,-33.81,;25.58,-35.35,;26.91,-33.04,;28.24,-33.81,;28.24,-35.35,;29.58,-36.13,;30.91,-35.35,;32.25,-36.12,;32.25,-37.66,;30.91,-38.44,;29.58,-37.66,;29.58,-33.04,;30.91,-33.82,;29.58,-31.5,)| 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
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 76 | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | BDBM50392489
(CHEMBL2152059)Show SMILES CCCNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:6.6| Show InChI InChI=1S/C66H89N17O14/c1-4-25-72-66(71)73-26-13-20-46(60(92)78-47(57(70)89)29-38-14-7-5-8-15-38)77-61(93)48(27-37(2)3)76-56(88)35-75-59(91)49(30-39-16-9-6-10-17-39)80-65(97)53(36-84)83-64(96)52(33-55(69)87)82-62(94)50(31-41-34-74-45-19-12-11-18-43(41)45)81-63(95)51(32-54(68)86)79-58(90)44(67)28-40-21-23-42(85)24-22-40/h5-12,14-19,21-24,34,37,44,46-53,74,84-85H,4,13,20,25-33,35-36,67H2,1-3H3,(H2,68,86)(H2,69,87)(H2,70,89)(H,75,91)(H,76,88)(H,77,93)(H,78,92)(H,79,90)(H,80,97)(H,81,95)(H,82,94)(H,83,96)(H3,71,72,73)/t44-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 | 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 | 0.360 | 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)) | 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)) | 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)) | 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)) | BDBM50392493
(CHEMBL2152063)Show SMILES CNC(N)=NCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C63H83N17O14/c1-34(2)24-45(58(90)74-43(22-23-70-63(68)69-3)57(89)75-44(54(67)86)26-35-12-6-4-7-13-35)73-53(85)32-72-56(88)46(27-36-14-8-5-9-15-36)77-62(94)50(33-81)80-61(93)49(30-52(66)84)79-59(91)47(28-38-31-71-42-17-11-10-16-40(38)42)78-60(92)48(29-51(65)83)76-55(87)41(64)25-37-18-20-39(82)21-19-37/h4-21,31,34,41,43-50,71,81-82H,22-30,32-33,64H2,1-3H3,(H2,65,83)(H2,66,84)(H2,67,86)(H,72,88)(H,73,85)(H,74,90)(H,75,89)(H,76,87)(H,77,94)(H,78,92)(H,79,91)(H,80,93)(H3,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 | 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 | 0.340 | 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)) | BDBM50392494
(CHEMBL2152064)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C65H87N15O14/c1-37(2)27-48(61(90)73-46(21-13-14-26-80(3)4)60(89)74-47(57(69)86)29-38-15-7-5-8-16-38)72-56(85)35-71-59(88)49(30-39-17-9-6-10-18-39)76-65(94)53(36-81)79-64(93)52(33-55(68)84)78-62(91)50(31-41-34-70-45-20-12-11-19-43(41)45)77-63(92)51(32-54(67)83)75-58(87)44(66)28-40-22-24-42(82)25-23-40/h5-12,15-20,22-25,34,37,44,46-53,70,81-82H,13-14,21,26-33,35-36,66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,71,88)(H,72,85)(H,73,90)(H,74,89)(H,75,87)(H,76,94)(H,77,92)(H,78,91)(H,79,93)/t44-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 | 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 | 0.330 | 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)) | BDBM50392495
(CHEMBL2152065)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(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C61H79N15O14/c1-33(2)23-44(57(86)70-42(21-22-62)56(85)71-43(53(66)82)25-34-11-5-3-6-12-34)69-52(81)31-68-55(84)45(26-35-13-7-4-8-14-35)73-61(90)49(32-77)76-60(89)48(29-51(65)80)75-58(87)46(27-37-30-67-41-16-10-9-15-39(37)41)74-59(88)47(28-50(64)79)72-54(83)40(63)24-36-17-19-38(78)20-18-36/h3-20,30,33,40,42-49,67,77-78H,21-29,31-32,62-63H2,1-2H3,(H2,64,79)(H2,65,80)(H2,66,82)(H,68,84)(H,69,81)(H,70,86)(H,71,85)(H,72,83)(H,73,90)(H,74,88)(H,75,87)(H,76,89)/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 | 3.90 | 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)) | BDBM50392496
(CHEMBL2152066)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](CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C60H77N15O14/c1-32(2)21-42(55(84)74-47(28-61)59(88)69-41(52(65)81)23-33-11-5-3-6-12-33)68-51(80)30-67-54(83)43(24-34-13-7-4-8-14-34)71-60(89)48(31-76)75-58(87)46(27-50(64)79)73-56(85)44(25-36-29-66-40-16-10-9-15-38(36)40)72-57(86)45(26-49(63)78)70-53(82)39(62)22-35-17-19-37(77)20-18-35/h3-20,29,32,39,41-48,66,76-77H,21-28,30-31,61-62H2,1-2H3,(H2,63,78)(H2,64,79)(H2,65,81)(H,67,83)(H,68,80)(H,69,88)(H,70,82)(H,71,89)(H,72,86)(H,73,85)(H,74,84)(H,75,87)/t39-,41-,42-,43-,44-,45-,46-,47-,48-/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 | 1.40 | 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)) | BDBM50392497
(CHEMBL2152067)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](CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C62H80N16O15/c1-33(2)21-43(57(88)77-48(30-69-52(83)28-63)61(92)72-42(54(67)85)23-34-11-5-3-6-12-34)71-53(84)31-70-56(87)44(24-35-13-7-4-8-14-35)74-62(93)49(32-79)78-60(91)47(27-51(66)82)76-58(89)45(25-37-29-68-41-16-10-9-15-39(37)41)75-59(90)46(26-50(65)81)73-55(86)40(64)22-36-17-19-38(80)20-18-36/h3-20,29,33,40,42-49,68,79-80H,21-28,30-32,63-64H2,1-2H3,(H2,65,81)(H2,66,82)(H2,67,85)(H,69,83)(H,70,87)(H,71,84)(H,72,92)(H,73,86)(H,74,93)(H,75,90)(H,76,89)(H,77,88)(H,78,91)/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 | 10 | 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)) | BDBM50392478
(CHEMBL2152048)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](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C60H76N14O14/c1-32(2)22-43(56(84)67-33(3)53(81)69-42(52(64)80)24-34-12-6-4-7-13-34)68-51(79)30-66-55(83)44(25-35-14-8-5-9-15-35)71-60(88)48(31-75)74-59(87)47(28-50(63)78)73-57(85)45(26-37-29-65-41-17-11-10-16-39(37)41)72-58(86)46(27-49(62)77)70-54(82)40(61)23-36-18-20-38(76)21-19-36/h4-21,29,32-33,40,42-48,65,75-76H,22-28,30-31,61H2,1-3H3,(H2,62,77)(H2,63,78)(H2,64,80)(H,66,83)(H,67,84)(H,68,79)(H,69,81)(H,70,82)(H,71,88)(H,72,86)(H,73,85)(H,74,87)/t33-,40-,42-,43-,44-,45-,46-,47-,48-/m0/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | n/a | n/a | 1.40 | 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 | |
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