Reaction Details Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50216078
Substrate
n/a
Meas. Tech.
ChEMBL_439840 (CHEMBL890161)
EC50
1.3±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:
BDBM50216078
Synonyms:
(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-2-{2-[(2S)-2-[(4-chlorophenyl)formamido]-3-phenylpropanamido]acetamido}-4-methylpentanamide | CHEMBL388585
Type:
Small organic molecule
Emp. Form.:
C41H51ClN10O6
Mol. Mass.:
815.36
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,44.45,wD:33.34,(8.92,-39.59,;8.92,-41.13,;10.25,-41.91,;7.59,-41.91,;7.59,-43.45,;6.25,-44.21,;4.92,-43.44,;4.92,-41.89,;3.58,-44.21,;2.25,-43.45,;.91,-44.21,;.91,-45.76,;-.42,-43.45,;-.42,-41.91,;.91,-41.13,;2.24,-41.9,;3.58,-41.13,;3.57,-39.59,;2.24,-38.82,;.9,-39.59,;-1.75,-44.22,;-3.09,-43.44,;-4.42,-44.21,;-3.09,-41.91,;-1.75,-41.15,;-1.75,-39.62,;-3.08,-38.84,;-3.08,-37.31,;-4.42,-39.62,;-4.41,-41.15,;8.92,-44.21,;8.92,-45.75,;10.25,-43.44,;11.59,-44.2,;11.59,-45.74,;12.93,-46.51,;12.93,-48.05,;14.26,-48.82,;14.26,-50.36,;12.93,-51.13,;15.6,-51.14,;12.93,-43.43,;12.93,-41.88,;14.26,-44.2,;15.59,-43.43,;15.59,-41.89,;16.92,-41.12,;18.32,-41.74,;19.35,-40.6,;18.59,-39.26,;19.06,-37.79,;18.02,-36.65,;16.52,-36.97,;16.04,-38.44,;17.08,-39.58,;16.92,-44.2,;18.25,-43.43,;16.92,-45.74,)|
Structure:
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