Reaction Details Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50216084
Substrate
n/a
Meas. Tech.
ChEMBL_439840 (CHEMBL890161)
EC50
3±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:
BDBM50216084
Synonyms:
(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-2-{2-[(2S)-2-{[4-(hydroxymethyl)phenyl]formamido}-3-phenylpropanamido]acetamido}-4-methylpentanamide | CHEMBL415004
Type:
Small organic molecule
Emp. Form.:
C42H54N10O7
Mol. Mass.:
810.941
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(CO)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,45.46,wD:34.35,(6.53,-25.13,;6.53,-26.67,;7.86,-27.44,;5.2,-27.44,;5.2,-28.98,;3.86,-29.75,;2.53,-28.98,;2.53,-27.43,;1.2,-29.75,;-.14,-28.98,;-1.48,-29.75,;-1.48,-31.29,;-2.81,-28.98,;-2.81,-27.44,;-1.48,-26.67,;-.15,-27.44,;1.19,-26.67,;1.19,-25.12,;-.15,-24.36,;-1.49,-25.13,;-4.14,-29.75,;-5.47,-28.98,;-6.8,-29.75,;-5.47,-27.45,;-4.14,-26.68,;-4.14,-25.15,;-5.47,-24.38,;-5.47,-22.84,;-4.14,-22.08,;-6.8,-25.16,;-6.8,-26.69,;6.54,-29.75,;6.54,-31.29,;7.87,-28.97,;9.2,-29.74,;9.2,-31.28,;10.54,-32.05,;10.54,-33.59,;11.87,-34.36,;11.87,-35.9,;10.54,-36.67,;13.21,-36.67,;10.54,-28.96,;10.54,-27.42,;11.87,-29.74,;13.2,-28.97,;13.2,-27.42,;14.53,-26.66,;15.93,-27.28,;16.96,-26.13,;16.2,-24.8,;16.67,-23.33,;15.63,-22.19,;14.13,-22.51,;13.65,-23.97,;14.69,-25.12,;14.53,-29.73,;15.86,-28.97,;14.53,-31.27,)|
Structure:
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