Reaction Details Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50216083
Substrate
n/a
Meas. Tech.
ChEMBL_439840 (CHEMBL890161)
EC50
2±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:
BDBM50216083
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-(1H-pyrrol-2-ylformamido)propanamido]acetamido}pentanamide | CHEMBL226635
Type:
Small organic molecule
Emp. Form.:
C39H51N11O6
Mol. Mass.:
769.8923
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,42.43,wD:31.32,(6.66,3.54,;6.66,2,;7.99,1.23,;5.32,1.23,;5.32,-.31,;3.99,-1.08,;2.66,-.31,;2.66,1.24,;1.32,-1.08,;-.02,-.31,;-1.35,-1.08,;-1.35,-2.62,;-2.68,-.31,;-2.68,1.23,;-1.35,2,;-.02,1.23,;1.31,2,;1.31,3.54,;-.02,4.31,;-1.36,3.54,;-4.02,-1.08,;-5.35,-.31,;-6.68,-1.08,;-5.34,1.23,;-4.1,2.13,;-4.57,3.59,;-6.11,3.6,;-6.58,2.14,;6.66,-1.08,;6.66,-2.62,;7.99,-.3,;9.33,-1.07,;9.33,-2.61,;10.66,-3.38,;10.66,-4.92,;12,-5.69,;12,-7.23,;10.67,-8,;13.33,-8,;10.66,-.29,;10.66,1.25,;11.99,-1.07,;13.33,-.3,;13.33,1.25,;14.66,2.01,;16.06,1.39,;17.09,2.54,;16.32,3.87,;16.8,5.34,;15.76,6.48,;14.25,6.16,;13.78,4.69,;14.82,3.55,;14.66,-1.06,;15.99,-.3,;14.66,-2.6,)|
Structure:
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