Found 2 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50203796' 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)) | BDBM50203796
((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](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:58.61,4.4,72.76,81.84,36.37,12.13,100.103,wD:66.69,24.24,89.92,16.16,44.45,(-9.93,-20.61,;-9.9,-22.15,;-11.22,-22.94,;-8.55,-22.89,;-8.55,-24.45,;-9.88,-25.22,;-7.21,-25.22,;-7.21,-26.76,;-5.88,-24.45,;-5.4,-22.99,;-3.86,-23,;-3.39,-24.46,;-4.64,-25.37,;-4.64,-26.91,;-5.98,-27.68,;-3.31,-27.68,;-3.31,-29.22,;-4.65,-29.99,;-4.65,-31.53,;-3.32,-32.3,;-5.98,-32.3,;-1.98,-29.99,;-1.98,-31.53,;-.64,-29.22,;.69,-29.99,;.69,-31.53,;2.02,-32.3,;2.01,-33.84,;3.34,-34.61,;4.68,-33.84,;6.01,-34.61,;4.68,-32.3,;3.35,-31.54,;2.02,-29.22,;2.02,-27.68,;3.36,-30,;4.69,-29.23,;4.69,-27.69,;6.03,-26.92,;7.36,-27.69,;6.03,-25.38,;6.02,-30,;6.02,-31.54,;7.36,-29.23,;8.69,-30,;8.69,-31.54,;10.02,-32.31,;11.27,-31.32,;12.51,-32.31,;12.03,-33.78,;12.79,-35.1,;12.03,-36.42,;10.49,-36.42,;9.73,-35.09,;10.5,-33.77,;10.03,-29.23,;10.03,-27.69,;11.36,-30,;12.69,-29.23,;12.69,-27.69,;14.03,-26.93,;15.36,-27.7,;14.03,-25.39,;14.03,-30.01,;14.02,-31.55,;15.36,-29.24,;16.69,-30.01,;16.69,-31.55,;15.36,-32.32,;18.03,-29.24,;18.03,-27.7,;19.36,-30.01,;20.69,-29.24,;20.7,-27.7,;22.03,-30.01,;22.03,-31.55,;23.36,-29.25,;24.7,-30.02,;26.03,-29.25,;26.03,-27.71,;27.36,-30.02,;28.7,-29.25,;28.7,-27.71,;30.03,-26.94,;30.03,-25.4,;31.37,-27.71,;30.03,-30.02,;30.03,-31.56,;31.36,-29.25,;32.7,-30.03,;32.7,-31.57,;34.03,-32.34,;34.03,-33.88,;35.36,-34.65,;35.36,-36.19,;36.69,-36.96,;34.02,-36.96,;34.03,-29.26,;34.03,-27.72,;35.36,-30.03,;36.7,-29.26,;36.7,-27.72,;38.04,-26.95,;39.36,-27.73,;40.7,-26.97,;40.7,-25.42,;39.36,-24.65,;38.03,-25.42,;38.03,-30.03,;39.37,-29.26,;38.03,-31.57,)| Show InChI InChI=1S/C72H103N21O18/c1-36(2)25-44(73)71(111)93-24-12-18-55(93)70(110)91-53(32-58(76)98)67(107)87-49(28-40-19-21-42(95)22-20-40)64(104)89-51(30-56(74)96)66(106)88-50(29-41-33-81-45-16-10-9-15-43(41)45)65(105)90-52(31-57(75)97)68(108)92-54(35-94)69(109)83-38(5)61(101)82-34-59(99)84-48(26-37(3)4)63(103)85-46(17-11-23-80-72(78)79)62(102)86-47(60(77)100)27-39-13-7-6-8-14-39/h6-10,13-16,19-22,33,36-38,44,46-55,81,94-95H,11-12,17-18,23-32,34-35,73H2,1-5H3,(H2,74,96)(H2,75,97)(H2,76,98)(H2,77,100)(H,82,101)(H,83,109)(H,84,99)(H,85,103)(H,86,102)(H,87,107)(H,88,106)(H,89,104)(H,90,105)(H,91,110)(H,92,108)(H4,78,79,80)/t38-,44-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 198 | 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)) | BDBM50203796
((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](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:58.61,4.4,72.76,81.84,36.37,12.13,100.103,wD:66.69,24.24,89.92,16.16,44.45,(-9.93,-20.61,;-9.9,-22.15,;-11.22,-22.94,;-8.55,-22.89,;-8.55,-24.45,;-9.88,-25.22,;-7.21,-25.22,;-7.21,-26.76,;-5.88,-24.45,;-5.4,-22.99,;-3.86,-23,;-3.39,-24.46,;-4.64,-25.37,;-4.64,-26.91,;-5.98,-27.68,;-3.31,-27.68,;-3.31,-29.22,;-4.65,-29.99,;-4.65,-31.53,;-3.32,-32.3,;-5.98,-32.3,;-1.98,-29.99,;-1.98,-31.53,;-.64,-29.22,;.69,-29.99,;.69,-31.53,;2.02,-32.3,;2.01,-33.84,;3.34,-34.61,;4.68,-33.84,;6.01,-34.61,;4.68,-32.3,;3.35,-31.54,;2.02,-29.22,;2.02,-27.68,;3.36,-30,;4.69,-29.23,;4.69,-27.69,;6.03,-26.92,;7.36,-27.69,;6.03,-25.38,;6.02,-30,;6.02,-31.54,;7.36,-29.23,;8.69,-30,;8.69,-31.54,;10.02,-32.31,;11.27,-31.32,;12.51,-32.31,;12.03,-33.78,;12.79,-35.1,;12.03,-36.42,;10.49,-36.42,;9.73,-35.09,;10.5,-33.77,;10.03,-29.23,;10.03,-27.69,;11.36,-30,;12.69,-29.23,;12.69,-27.69,;14.03,-26.93,;15.36,-27.7,;14.03,-25.39,;14.03,-30.01,;14.02,-31.55,;15.36,-29.24,;16.69,-30.01,;16.69,-31.55,;15.36,-32.32,;18.03,-29.24,;18.03,-27.7,;19.36,-30.01,;20.69,-29.24,;20.7,-27.7,;22.03,-30.01,;22.03,-31.55,;23.36,-29.25,;24.7,-30.02,;26.03,-29.25,;26.03,-27.71,;27.36,-30.02,;28.7,-29.25,;28.7,-27.71,;30.03,-26.94,;30.03,-25.4,;31.37,-27.71,;30.03,-30.02,;30.03,-31.56,;31.36,-29.25,;32.7,-30.03,;32.7,-31.57,;34.03,-32.34,;34.03,-33.88,;35.36,-34.65,;35.36,-36.19,;36.69,-36.96,;34.02,-36.96,;34.03,-29.26,;34.03,-27.72,;35.36,-30.03,;36.7,-29.26,;36.7,-27.72,;38.04,-26.95,;39.36,-27.73,;40.7,-26.97,;40.7,-25.42,;39.36,-24.65,;38.03,-25.42,;38.03,-30.03,;39.37,-29.26,;38.03,-31.57,)| Show InChI InChI=1S/C72H103N21O18/c1-36(2)25-44(73)71(111)93-24-12-18-55(93)70(110)91-53(32-58(76)98)67(107)87-49(28-40-19-21-42(95)22-20-40)64(104)89-51(30-56(74)96)66(106)88-50(29-41-33-81-45-16-10-9-15-43(41)45)65(105)90-52(31-57(75)97)68(108)92-54(35-94)69(109)83-38(5)61(101)82-34-59(99)84-48(26-37(3)4)63(103)85-46(17-11-23-80-72(78)79)62(102)86-47(60(77)100)27-39-13-7-6-8-14-39/h6-10,13-16,19-22,33,36-38,44,46-55,81,94-95H,11-12,17-18,23-32,34-35,73H2,1-5H3,(H2,74,96)(H2,75,97)(H2,76,98)(H2,77,100)(H,82,101)(H,83,109)(H,84,99)(H,85,103)(H,86,102)(H,87,107)(H,88,106)(H,89,104)(H,90,105)(H,91,110)(H,92,108)(H4,78,79,80)/t38-,44-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/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 | 285 | 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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