Reaction Details  Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50392483
Substrate
n/a
Meas. Tech.
ChEMBL_852184 (CHEMBL2157605)
EC50
76±n/a nM
Citation
 Asami, T; Nishizawa, N; Ishibashi, Y; Nishibori, K; Horikoshi, Y; Matsumoto, H; Ohtaki, T; Kitada, C Trypsin resistance of a decapeptide KISS1R agonist containing an N¿-methylarginine substitution. Bioorg Med Chem Lett 22:6328-32 (2012) [PubMed]  Article
Target
Name:
KiSS-1 receptor
Synonyms:
AXOR12 | G-protein Coupled Receptor 54 | G-protein coupled receptor 54 (GPR54) | GPR54 | Hypogonadotropin-1 | KISS1R | KISSR_HUMAN | KiSS-1R | Kisspeptins receptor | Metastin receptor | hOT7T175
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42613.79
Organism:
Homo sapiens (Human)
Description:
Binding assay was performed using membranes from the CHO cell transfectants.
Residue:
398
Sequence:
MHTVATSGPNASWGAPANASGCPGCGANASDGPVPSPRAVDAWLVPLFFAALMLLGLVGNSLVIYVICRHKPMRTVTNFYIANLAATDVTFLLCCVPFTALLYPLPGWVLGDFMCKFVNYIQQVSVQATCATLTAMSVDRWYVTVFPLRALHRRTPRLALAVSLSIWVGSAAVSAPVLALHRLSPGPRAYCSEAFPSRALERAFALYNLLALYLLPLLATCACYAAMLRHLGRVAVRPAPADSALQGQVLAERAGAVRAKVSRLVAAVVLLFAACWGPIQLFLVLQALGPAGSWHPRSYAAYALKTWAHCMSYSNSALNPLLYAFLGSHFRQAFRRVCPCAPRRPRRPRRPGPSDPAAPHAELLRLGSHPAPARAQKPGSSGLAARGLCVLGEDNAPL
  
Inhibitor
Name:
BDBM50392483
Synonyms:
CHEMBL2152053
Type:
Small organic molecule
Emp. Form.:
C63H83N17O14
Mol. Mass.:
1302.4386
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,)|
Structure:
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