Found 2 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50203806' 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)) | BDBM50203806
((2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]py...)Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:105.110,58.61,4.4,72.75,36.37,12.13,wD:90.96,94.99,66.69,24.24,16.16,44.45,(-13.85,-15.59,;-13.83,-17.13,;-15.16,-17.91,;-12.49,-17.87,;-12.48,-19.43,;-13.81,-20.2,;-11.13,-20.2,;-11.13,-21.74,;-9.81,-19.44,;-9.33,-17.98,;-7.79,-17.98,;-7.31,-19.43,;-8.56,-20.35,;-8.56,-21.89,;-9.9,-22.65,;-7.23,-22.66,;-7.23,-24.2,;-8.57,-24.97,;-8.57,-26.51,;-7.24,-27.28,;-9.91,-27.27,;-5.91,-24.97,;-5.91,-26.51,;-4.57,-24.2,;-3.24,-24.97,;-3.24,-26.51,;-1.9,-27.28,;-1.91,-28.82,;-.58,-29.59,;.76,-28.82,;2.09,-29.59,;.76,-27.27,;-.57,-26.51,;-1.9,-24.2,;-1.9,-22.66,;-.57,-24.97,;.76,-24.21,;.77,-22.67,;2.11,-21.9,;3.43,-22.67,;2.11,-20.36,;2.1,-24.98,;2.1,-26.52,;3.43,-24.21,;4.77,-24.98,;4.77,-26.52,;6.09,-27.29,;7.35,-26.3,;8.58,-27.29,;8.11,-28.76,;8.87,-30.07,;8.11,-31.4,;6.57,-31.4,;5.81,-30.07,;6.58,-28.75,;6.1,-24.21,;6.1,-22.67,;7.44,-24.98,;8.77,-24.22,;8.77,-22.68,;10.1,-21.91,;11.44,-22.68,;10.11,-20.37,;10.1,-24.99,;10.1,-26.53,;11.44,-24.22,;12.77,-24.99,;12.77,-26.53,;14.1,-27.3,;14.11,-24.22,;14.11,-22.68,;15.44,-24.99,;16.77,-24.22,;16.77,-22.68,;18.11,-21.92,;19.44,-22.68,;20.78,-21.92,;20.78,-20.38,;19.43,-19.6,;18.11,-20.38,;18.11,-25,;18.1,-26.54,;19.44,-24.23,;20.78,-24.99,;22.11,-24.22,;22.11,-22.68,;23.44,-24.99,;23.36,-26.53,;24.8,-27.08,;25.76,-25.88,;24.93,-24.6,;25.69,-23.26,;24.91,-21.93,;27.23,-23.25,;28.01,-24.58,;27.25,-25.92,;28.03,-27.25,;27.26,-28.59,;28.04,-29.92,;27.28,-31.26,;28.05,-32.58,;25.74,-31.27,;29.55,-24.58,;30.31,-23.24,;30.33,-25.9,;31.86,-25.89,;32.63,-24.55,;34.17,-24.55,;34.94,-25.88,;36.48,-25.88,;37.24,-24.54,;36.45,-23.2,;34.92,-23.22,;32.65,-27.22,;34.18,-27.21,;31.88,-28.56,)| Show InChI InChI=1S/C77H103N21O18/c1-41(2)30-48(78)76(116)98-29-13-22-60(98)75(115)95-57(37-63(81)103)71(111)91-53(33-44-23-25-46(100)26-24-44)68(108)93-55(35-61(79)101)70(110)92-54(34-45-38-86-49-19-10-9-18-47(45)49)69(109)94-56(36-62(80)102)72(112)96-58(40-99)73(113)90-52(32-43-16-7-4-8-17-43)66(106)87-39-64(104)97-28-12-21-59(97)74(114)88-50(20-11-27-85-77(83)84)67(107)89-51(65(82)105)31-42-14-5-3-6-15-42/h3-10,14-19,23-26,38,41,48,50-60,86,99-100H,11-13,20-22,27-37,39-40,78H2,1-2H3,(H2,79,101)(H2,80,102)(H2,81,103)(H2,82,105)(H,87,106)(H,88,114)(H,89,107)(H,90,113)(H,91,111)(H,92,110)(H,93,108)(H,94,109)(H,95,115)(H,96,112)(H4,83,84,85)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Health Science Center
Curated by ChEMBL
| Assay Description
Displacement of [125]metastin from metastin receptor |
J Med Chem 50: 462-71 (2007)
Article DOI: 10.1021/jm0609824
BindingDB Entry DOI: 10.7270/Q2HT2P0K |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50203806
((2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]py...)Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:105.110,58.61,4.4,72.75,36.37,12.13,wD:90.96,94.99,66.69,24.24,16.16,44.45,(-13.85,-15.59,;-13.83,-17.13,;-15.16,-17.91,;-12.49,-17.87,;-12.48,-19.43,;-13.81,-20.2,;-11.13,-20.2,;-11.13,-21.74,;-9.81,-19.44,;-9.33,-17.98,;-7.79,-17.98,;-7.31,-19.43,;-8.56,-20.35,;-8.56,-21.89,;-9.9,-22.65,;-7.23,-22.66,;-7.23,-24.2,;-8.57,-24.97,;-8.57,-26.51,;-7.24,-27.28,;-9.91,-27.27,;-5.91,-24.97,;-5.91,-26.51,;-4.57,-24.2,;-3.24,-24.97,;-3.24,-26.51,;-1.9,-27.28,;-1.91,-28.82,;-.58,-29.59,;.76,-28.82,;2.09,-29.59,;.76,-27.27,;-.57,-26.51,;-1.9,-24.2,;-1.9,-22.66,;-.57,-24.97,;.76,-24.21,;.77,-22.67,;2.11,-21.9,;3.43,-22.67,;2.11,-20.36,;2.1,-24.98,;2.1,-26.52,;3.43,-24.21,;4.77,-24.98,;4.77,-26.52,;6.09,-27.29,;7.35,-26.3,;8.58,-27.29,;8.11,-28.76,;8.87,-30.07,;8.11,-31.4,;6.57,-31.4,;5.81,-30.07,;6.58,-28.75,;6.1,-24.21,;6.1,-22.67,;7.44,-24.98,;8.77,-24.22,;8.77,-22.68,;10.1,-21.91,;11.44,-22.68,;10.11,-20.37,;10.1,-24.99,;10.1,-26.53,;11.44,-24.22,;12.77,-24.99,;12.77,-26.53,;14.1,-27.3,;14.11,-24.22,;14.11,-22.68,;15.44,-24.99,;16.77,-24.22,;16.77,-22.68,;18.11,-21.92,;19.44,-22.68,;20.78,-21.92,;20.78,-20.38,;19.43,-19.6,;18.11,-20.38,;18.11,-25,;18.1,-26.54,;19.44,-24.23,;20.78,-24.99,;22.11,-24.22,;22.11,-22.68,;23.44,-24.99,;23.36,-26.53,;24.8,-27.08,;25.76,-25.88,;24.93,-24.6,;25.69,-23.26,;24.91,-21.93,;27.23,-23.25,;28.01,-24.58,;27.25,-25.92,;28.03,-27.25,;27.26,-28.59,;28.04,-29.92,;27.28,-31.26,;28.05,-32.58,;25.74,-31.27,;29.55,-24.58,;30.31,-23.24,;30.33,-25.9,;31.86,-25.89,;32.63,-24.55,;34.17,-24.55,;34.94,-25.88,;36.48,-25.88,;37.24,-24.54,;36.45,-23.2,;34.92,-23.22,;32.65,-27.22,;34.18,-27.21,;31.88,-28.56,)| Show InChI InChI=1S/C77H103N21O18/c1-41(2)30-48(78)76(116)98-29-13-22-60(98)75(115)95-57(37-63(81)103)71(111)91-53(33-44-23-25-46(100)26-24-44)68(108)93-55(35-61(79)101)70(110)92-54(34-45-38-86-49-19-10-9-18-47(45)49)69(109)94-56(36-62(80)102)72(112)96-58(40-99)73(113)90-52(32-43-16-7-4-8-17-43)66(106)87-39-64(104)97-28-12-21-59(97)74(114)88-50(20-11-27-85-77(83)84)67(107)89-51(65(82)105)31-42-14-5-3-6-15-42/h3-10,14-19,23-26,38,41,48,50-60,86,99-100H,11-13,20-22,27-37,39-40,78H2,1-2H3,(H2,79,101)(H2,80,102)(H2,81,103)(H2,82,105)(H,87,106)(H,88,114)(H,89,107)(H,90,113)(H,91,111)(H,92,110)(H,93,108)(H,94,109)(H,95,115)(H,96,112)(H4,83,84,85)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/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 | 645 | n/a | n/a | n/a | n/a |
University of Minnesota Health Science Center
Curated by ChEMBL
| Assay Description
Activity at metastin receptor expressed in HEK293 cells by measuring calcium release |
J Med Chem 50: 462-71 (2007)
Article DOI: 10.1021/jm0609824
BindingDB Entry DOI: 10.7270/Q2HT2P0K |
More data for this
Ligand-Target Pair | |
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