Reaction Details Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50216085
Substrate
n/a
Meas. Tech.
ChEMBL_439840 (CHEMBL890161)
EC50
3.1±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:
BDBM50216085
Synonyms:
(2S)-2-{2-[(2S)-2-[(2-aminophenyl)formamido]-3-phenylpropanamido]acetamido}-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-4-methylpentanamide | CHEMBL226634
Type:
Small organic molecule
Emp. Form.:
C41H53N11O6
Mol. Mass.:
795.9296
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1N)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,(8.26,-8.02,;8.26,-9.56,;9.59,-10.33,;6.93,-10.33,;6.93,-11.87,;5.59,-12.64,;4.26,-11.87,;4.26,-10.32,;2.93,-12.64,;1.59,-11.88,;.25,-12.64,;.25,-14.19,;-1.08,-11.88,;-1.08,-10.34,;.25,-9.56,;1.58,-10.33,;2.92,-9.56,;2.92,-8.02,;1.58,-7.25,;.24,-8.02,;-2.41,-12.65,;-3.74,-11.87,;-5.07,-12.64,;-3.74,-10.34,;-2.41,-9.57,;-2.41,-8.04,;-3.74,-7.27,;-5.08,-8.04,;-5.07,-9.57,;-6.4,-10.34,;8.26,-12.64,;8.26,-14.18,;9.6,-11.87,;10.93,-12.63,;10.93,-14.17,;12.27,-14.94,;12.27,-16.48,;13.6,-17.25,;13.6,-18.79,;12.27,-19.56,;14.94,-19.56,;12.27,-11.85,;12.27,-10.31,;13.6,-12.63,;14.93,-11.86,;14.93,-10.31,;16.26,-9.55,;17.66,-10.17,;18.69,-9.02,;17.93,-7.69,;18.4,-6.22,;17.36,-5.08,;15.86,-5.4,;15.38,-6.87,;16.42,-8.01,;16.26,-12.63,;17.59,-11.86,;16.26,-14.16,)|
Structure:
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