Reaction Details Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50216063
Substrate
n/a
Meas. Tech.
ChEMBL_439840 (CHEMBL890161)
EC50
2.1±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:
BDBM50216063
Synonyms:
(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-2-{2-[(2S)-2-[(4-hydroxyphenyl)formamido]-3-phenylpropanamido]acetamido}-4-methylpentanamide | CHEMBL389708
Type:
Small organic molecule
Emp. Form.:
C41H52N10O7
Mol. Mass.:
796.9144
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)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,(10.78,-39.49,;10.78,-41.03,;12.11,-41.8,;9.44,-41.8,;9.44,-43.34,;8.11,-44.11,;6.77,-43.34,;6.77,-41.79,;5.44,-44.11,;4.1,-43.34,;2.76,-44.11,;2.76,-45.65,;1.43,-43.34,;1.43,-41.8,;2.76,-41.03,;4.09,-41.8,;5.43,-41.03,;5.43,-39.48,;4.1,-38.72,;2.76,-39.49,;.1,-44.11,;-1.23,-43.34,;-2.56,-44.11,;-1.23,-41.81,;.1,-41.04,;.1,-39.51,;-1.23,-38.74,;-1.23,-37.2,;-2.56,-39.51,;-2.56,-41.05,;10.78,-44.11,;10.78,-45.64,;12.11,-43.33,;13.44,-44.1,;13.44,-45.64,;14.78,-46.41,;14.78,-47.94,;16.11,-48.72,;16.12,-50.26,;14.79,-51.03,;17.45,-51.03,;14.78,-43.32,;14.78,-41.78,;16.11,-44.1,;17.45,-43.33,;17.45,-41.78,;18.77,-41.01,;20.18,-41.64,;21.21,-40.49,;20.44,-39.16,;20.92,-37.69,;19.88,-36.55,;18.37,-36.86,;17.89,-38.33,;18.93,-39.48,;18.77,-44.09,;20.1,-43.32,;18.77,-45.63,)|
Structure:
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