Reaction Details Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50216065
Substrate
n/a
Meas. Tech.
ChEMBL_439840 (CHEMBL890161)
EC50
>100±n/a nM
Citation
 Tomita, K; Oishi, S; Cluzeau, J; Ohno, H; Navenot, JM; Wang, ZX; Peiper, SC; Akamatsu, M; Fujii, N SAR and QSAR studies on the N-terminally acylated pentapeptide agonists for GPR54. J Med Chem 50:3222-8 (2007) [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:
BDBM50216065
Synonyms:
(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-4-methyl-2-{2-[(2S)-3-phenyl-2-[(3,4,5-trihydroxyphenyl)formamido]propanamido]acetamido}pentanamide | CHEMBL226537
Type:
Small organic molecule
Emp. Form.:
C41H52N10O9
Mol. Mass.:
828.9132
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)c(O)c(O)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,46.47,wD:35.36,(5.92,2.15,;5.92,.61,;7.24,-.16,;4.58,-.16,;4.58,-1.7,;3.24,-2.47,;1.91,-1.7,;1.91,-.15,;.58,-2.47,;-.76,-1.7,;-2.1,-2.47,;-2.1,-4.01,;-3.43,-1.7,;-3.43,-.16,;-2.1,.61,;-.77,-.16,;.57,.61,;.57,2.16,;-.77,2.92,;-2.11,2.15,;-4.76,-2.47,;-6.09,-1.7,;-7.42,-2.47,;-6.09,-.17,;-4.76,.6,;-4.76,2.13,;-3.43,2.9,;-6.09,2.9,;-6.09,4.44,;-7.42,2.13,;-8.75,2.89,;-7.42,.59,;5.92,-2.47,;5.92,-4,;7.25,-1.69,;8.58,-2.46,;8.58,-4,;9.92,-4.77,;9.92,-6.3,;11.25,-7.08,;11.25,-8.62,;9.93,-9.39,;12.59,-9.39,;9.92,-1.68,;9.92,-.14,;11.25,-2.46,;12.58,-1.69,;12.58,-.14,;13.91,.63,;15.31,.01,;16.34,1.15,;15.58,2.49,;16.05,3.95,;15.01,5.09,;13.51,4.78,;13.03,3.31,;14.07,2.16,;13.91,-2.45,;15.24,-1.68,;13.91,-3.99,)|
Structure:
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