Found 2 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50203798' 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)) | BDBM50203798
((2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-me...)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)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C78H106N20O19/c1-41(2)29-49(79)77(116)98-28-14-22-61(98)76(115)96-59(37-64(82)103)73(112)92-55(33-45-23-25-47(100)26-24-45)70(109)94-57(35-62(80)101)72(111)93-56(34-46-38-86-50-20-12-11-19-48(46)50)71(110)95-58(36-63(81)102)74(113)97-60(40-99)75(114)91-54(32-44-17-9-6-10-18-44)67(106)87-39-65(104)88-53(30-42(3)4)69(108)89-51(21-13-27-85-78(84)117)68(107)90-52(66(83)105)31-43-15-7-5-8-16-43/h5-12,15-20,23-26,38,41-42,49,51-61,86,99-100H,13-14,21-22,27-37,39-40,79H2,1-4H3,(H2,80,101)(H2,81,102)(H2,82,103)(H2,83,105)(H,87,106)(H,88,104)(H,89,108)(H,90,107)(H,91,114)(H,92,112)(H,93,111)(H,94,109)(H,95,110)(H,96,115)(H,97,113)(H3,84,85,117)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 88.1 | 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)) | BDBM50203798
((2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-me...)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)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C78H106N20O19/c1-41(2)29-49(79)77(116)98-28-14-22-61(98)76(115)96-59(37-64(82)103)73(112)92-55(33-45-23-25-47(100)26-24-45)70(109)94-57(35-62(80)101)72(111)93-56(34-46-38-86-50-20-12-11-19-48(46)50)71(110)95-58(36-63(81)102)74(113)97-60(40-99)75(114)91-54(32-44-17-9-6-10-18-44)67(106)87-39-65(104)88-53(30-42(3)4)69(108)89-51(21-13-27-85-78(84)117)68(107)90-52(66(83)105)31-43-15-7-5-8-16-43/h5-12,15-20,23-26,38,41-42,49,51-61,86,99-100H,13-14,21-22,27-37,39-40,79H2,1-4H3,(H2,80,101)(H2,81,102)(H2,82,103)(H2,83,105)(H,87,106)(H,88,104)(H,89,108)(H,90,107)(H,91,114)(H,92,112)(H,93,111)(H,94,109)(H,95,110)(H,96,115)(H,97,113)(H3,84,85,117)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/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 | 214 | 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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