Found 2 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50203801' 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)) | BDBM50203801
((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](C)C(N)=O |wU:58.61,4.4,72.76,81.84,36.37,12.13,100.104,wD:66.69,24.24,89.92,16.16,44.45,(-20.28,-19.15,;-20.26,-20.69,;-21.58,-21.47,;-18.91,-21.43,;-18.9,-22.99,;-20.24,-23.76,;-17.57,-23.76,;-17.57,-25.3,;-16.25,-22.99,;-15.77,-21.53,;-14.22,-21.54,;-13.74,-22.99,;-14.99,-23.9,;-14.99,-25.44,;-16.34,-26.21,;-13.67,-26.22,;-13.67,-27.76,;-15,-28.52,;-15,-30.06,;-13.68,-30.84,;-16.33,-30.83,;-12.34,-28.53,;-12.34,-30.07,;-10.99,-27.76,;-9.66,-28.53,;-9.66,-30.07,;-8.33,-30.84,;-8.33,-32.38,;-7.01,-33.15,;-5.66,-32.38,;-4.33,-33.15,;-5.67,-30.83,;-6.99,-30.07,;-8.32,-27.76,;-8.32,-26.22,;-6.99,-28.53,;-5.66,-27.77,;-5.66,-26.23,;-4.32,-25.46,;-2.99,-26.23,;-4.32,-23.92,;-4.32,-28.54,;-4.33,-30.08,;-2.99,-27.77,;-1.65,-28.54,;-1.66,-30.08,;-.33,-30.85,;.93,-29.86,;2.16,-30.85,;1.68,-32.32,;2.44,-33.63,;1.68,-34.96,;.14,-34.96,;-.62,-33.63,;.15,-32.31,;-.32,-27.77,;-.32,-26.23,;1.01,-28.54,;2.35,-27.77,;2.35,-26.23,;3.68,-25.47,;5.02,-26.24,;3.68,-23.93,;3.67,-28.55,;3.67,-30.09,;5.01,-27.78,;6.34,-28.55,;6.34,-30.09,;7.68,-30.86,;7.68,-27.78,;7.68,-26.24,;9.01,-28.55,;10.34,-27.78,;10.35,-26.24,;11.68,-28.56,;11.68,-30.1,;13.01,-27.79,;14.35,-28.55,;15.68,-27.78,;15.68,-26.24,;17.01,-28.55,;18.35,-27.78,;18.35,-26.24,;19.68,-25.48,;19.68,-23.94,;21.02,-26.25,;19.68,-28.56,;19.68,-30.1,;21.02,-27.79,;22.35,-28.56,;22.35,-30.1,;23.68,-30.87,;23.68,-32.41,;25.01,-33.18,;25.01,-34.72,;26.34,-35.49,;23.68,-35.49,;23.69,-27.79,;23.69,-26.25,;25.02,-28.56,;26.35,-27.79,;26.35,-26.25,;27.69,-28.57,;29.02,-27.8,;27.68,-30.11,)| Show InChI InChI=1S/C66H99N21O18/c1-31(2)21-39(67)65(105)87-20-10-14-49(87)64(104)85-47(27-52(70)92)61(101)81-43(23-35-15-17-37(89)18-16-35)58(98)83-45(25-50(68)90)60(100)82-44(24-36-28-75-40-12-8-7-11-38(36)40)59(99)84-46(26-51(69)91)62(102)86-48(30-88)63(103)78-34(6)55(95)76-29-53(93)79-42(22-32(3)4)57(97)80-41(13-9-19-74-66(72)73)56(96)77-33(5)54(71)94/h7-8,11-12,15-18,28,31-34,39,41-49,75,88-89H,9-10,13-14,19-27,29-30,67H2,1-6H3,(H2,68,90)(H2,69,91)(H2,70,92)(H2,71,94)(H,76,95)(H,77,96)(H,78,103)(H,79,93)(H,80,97)(H,81,101)(H,82,100)(H,83,98)(H,84,99)(H,85,104)(H,86,102)(H4,72,73,74)/t33-,34-,39-,41-,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
| 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)) | BDBM50203801
((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](C)C(N)=O |wU:58.61,4.4,72.76,81.84,36.37,12.13,100.104,wD:66.69,24.24,89.92,16.16,44.45,(-20.28,-19.15,;-20.26,-20.69,;-21.58,-21.47,;-18.91,-21.43,;-18.9,-22.99,;-20.24,-23.76,;-17.57,-23.76,;-17.57,-25.3,;-16.25,-22.99,;-15.77,-21.53,;-14.22,-21.54,;-13.74,-22.99,;-14.99,-23.9,;-14.99,-25.44,;-16.34,-26.21,;-13.67,-26.22,;-13.67,-27.76,;-15,-28.52,;-15,-30.06,;-13.68,-30.84,;-16.33,-30.83,;-12.34,-28.53,;-12.34,-30.07,;-10.99,-27.76,;-9.66,-28.53,;-9.66,-30.07,;-8.33,-30.84,;-8.33,-32.38,;-7.01,-33.15,;-5.66,-32.38,;-4.33,-33.15,;-5.67,-30.83,;-6.99,-30.07,;-8.32,-27.76,;-8.32,-26.22,;-6.99,-28.53,;-5.66,-27.77,;-5.66,-26.23,;-4.32,-25.46,;-2.99,-26.23,;-4.32,-23.92,;-4.32,-28.54,;-4.33,-30.08,;-2.99,-27.77,;-1.65,-28.54,;-1.66,-30.08,;-.33,-30.85,;.93,-29.86,;2.16,-30.85,;1.68,-32.32,;2.44,-33.63,;1.68,-34.96,;.14,-34.96,;-.62,-33.63,;.15,-32.31,;-.32,-27.77,;-.32,-26.23,;1.01,-28.54,;2.35,-27.77,;2.35,-26.23,;3.68,-25.47,;5.02,-26.24,;3.68,-23.93,;3.67,-28.55,;3.67,-30.09,;5.01,-27.78,;6.34,-28.55,;6.34,-30.09,;7.68,-30.86,;7.68,-27.78,;7.68,-26.24,;9.01,-28.55,;10.34,-27.78,;10.35,-26.24,;11.68,-28.56,;11.68,-30.1,;13.01,-27.79,;14.35,-28.55,;15.68,-27.78,;15.68,-26.24,;17.01,-28.55,;18.35,-27.78,;18.35,-26.24,;19.68,-25.48,;19.68,-23.94,;21.02,-26.25,;19.68,-28.56,;19.68,-30.1,;21.02,-27.79,;22.35,-28.56,;22.35,-30.1,;23.68,-30.87,;23.68,-32.41,;25.01,-33.18,;25.01,-34.72,;26.34,-35.49,;23.68,-35.49,;23.69,-27.79,;23.69,-26.25,;25.02,-28.56,;26.35,-27.79,;26.35,-26.25,;27.69,-28.57,;29.02,-27.8,;27.68,-30.11,)| Show InChI InChI=1S/C66H99N21O18/c1-31(2)21-39(67)65(105)87-20-10-14-49(87)64(104)85-47(27-52(70)92)61(101)81-43(23-35-15-17-37(89)18-16-35)58(98)83-45(25-50(68)90)60(100)82-44(24-36-28-75-40-12-8-7-11-38(36)40)59(99)84-46(26-51(69)91)62(102)86-48(30-88)63(103)78-34(6)55(95)76-29-53(93)79-42(22-32(3)4)57(97)80-41(13-9-19-74-66(72)73)56(96)77-33(5)54(71)94/h7-8,11-12,15-18,28,31-34,39,41-49,75,88-89H,9-10,13-14,19-27,29-30,67H2,1-6H3,(H2,68,90)(H2,69,91)(H2,70,92)(H2,71,94)(H,76,95)(H,77,96)(H,78,103)(H,79,93)(H,80,97)(H,81,101)(H,82,100)(H,83,98)(H,84,99)(H,85,104)(H,86,102)(H4,72,73,74)/t33-,34-,39-,41-,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 | 1.00E+4 | 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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