Reaction Details Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50216067
Substrate
n/a
Meas. Tech.
ChEMBL_439840 (CHEMBL890161)
EC50
0.99±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:
BDBM50216067
Synonyms:
(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-4-methyl-2-{2-[(2S)-3-phenyl-2-(phenylformamido)propanamido]acetamido}pentanamide | CHEMBL226757
Type:
Small organic molecule
Emp. Form.:
C41H52N10O6
Mol. Mass.:
780.915
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,43.44,wD:32.33,(7.35,-10.51,;7.35,-12.05,;8.68,-12.82,;6.01,-12.82,;6.01,-14.36,;4.68,-15.13,;3.35,-14.36,;3.35,-12.81,;2.01,-15.13,;.67,-14.36,;-.66,-15.13,;-.66,-16.68,;-1.99,-14.36,;-1.99,-12.82,;-.66,-12.05,;.67,-12.82,;2,-12.05,;2,-10.51,;.67,-9.74,;-.67,-10.51,;-3.33,-15.14,;-4.66,-14.36,;-5.99,-15.13,;-4.66,-12.83,;-3.33,-12.07,;-3.32,-10.53,;-4.65,-9.76,;-5.99,-10.54,;-5.98,-12.07,;7.35,-15.13,;7.35,-16.67,;8.68,-14.35,;10.02,-15.12,;10.02,-16.66,;11.35,-17.43,;11.35,-18.97,;12.69,-19.74,;12.69,-21.28,;11.36,-22.05,;14.02,-22.05,;11.35,-14.34,;11.35,-12.8,;12.68,-15.12,;14.02,-14.35,;14.02,-12.8,;15.35,-12.04,;16.75,-12.66,;17.78,-11.51,;17.01,-10.18,;17.49,-8.71,;16.45,-7.57,;14.94,-7.89,;14.47,-9.36,;15.51,-10.5,;15.35,-15.12,;16.68,-14.35,;15.35,-16.65,)|
Structure:
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