Reaction Details Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50216069
Substrate
n/a
Meas. Tech.
ChEMBL_439840 (CHEMBL890161)
EC50
1.4±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:
BDBM50216069
Synonyms:
(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-2-{2-[(2S)-2-{[4-(carbamimidamidomethyl)phenyl]formamido}-3-phenylpropanamido]acetamido}-4-methylpentanamide | CHEMBL229621
Type:
Small organic molecule
Emp. Form.:
C43H57N13O6
Mol. Mass.:
851.9962
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(CN=C(N)N)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,48.49,wD:37.38,(9.09,-16.29,;9.09,-17.84,;10.42,-18.61,;7.76,-18.61,;7.76,-20.15,;6.42,-20.92,;5.09,-20.14,;5.09,-18.6,;3.75,-20.91,;2.42,-20.15,;1.08,-20.92,;1.08,-22.46,;-.25,-20.15,;-.25,-18.61,;1.08,-17.84,;2.41,-18.6,;3.75,-17.83,;3.75,-16.29,;2.41,-15.53,;1.07,-16.3,;-1.58,-20.92,;-2.91,-20.15,;-4.24,-20.91,;-2.91,-18.61,;-1.58,-17.84,;-1.58,-16.31,;-2.91,-15.54,;-2.91,-14,;-1.58,-13.24,;-.25,-14,;1.08,-13.24,;-.25,-15.54,;-4.25,-16.31,;-4.24,-17.85,;9.09,-20.91,;9.09,-22.45,;10.43,-20.14,;11.76,-20.9,;11.76,-22.44,;13.1,-23.21,;13.1,-24.75,;14.43,-25.53,;14.43,-27.07,;13.1,-27.83,;15.77,-27.84,;13.1,-20.13,;13.1,-18.59,;14.43,-20.9,;15.76,-20.13,;15.76,-18.59,;17.09,-17.82,;18.49,-18.44,;19.52,-17.3,;18.76,-15.96,;19.23,-14.49,;18.19,-13.36,;16.69,-13.67,;16.21,-15.14,;17.25,-16.29,;17.09,-20.9,;18.42,-20.13,;17.09,-22.44,)|
Structure:
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