Reaction Details Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50216074
Substrate
n/a
Meas. Tech.
ChEMBL_439840 (CHEMBL890161)
EC50
1.7±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:
BDBM50216074
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-(pyridin-4-ylformamido)propanamido]acetamido}pentanamide | CHEMBL268659
Type:
Small organic molecule
Emp. Form.:
C40H51N11O6
Mol. Mass.:
781.903
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)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,(6.72,4.32,;6.72,2.78,;8.05,2.01,;5.39,2.01,;5.39,.47,;4.05,-.3,;2.72,.47,;2.72,2.02,;1.38,-.29,;.04,.47,;-1.29,-.3,;-1.29,-1.84,;-2.62,.47,;-2.62,2.01,;-1.29,2.78,;.04,2.01,;1.38,2.79,;1.37,4.33,;.04,5.09,;-1.3,4.32,;-3.95,-.3,;-5.29,.47,;-6.62,-.29,;-5.29,2.01,;-3.96,2.77,;-3.96,4.31,;-5.29,5.08,;-6.62,4.3,;-6.62,2.77,;6.72,-.3,;6.72,-1.83,;8.05,.48,;9.39,-.29,;9.39,-1.82,;10.73,-2.59,;10.73,-4.13,;12.06,-4.91,;12.06,-6.45,;10.73,-7.21,;13.39,-7.22,;10.73,.49,;10.73,2.03,;12.05,-.29,;13.39,.48,;13.39,2.03,;14.72,2.8,;16.12,2.18,;17.15,3.32,;16.38,4.66,;16.86,6.13,;15.82,7.26,;14.31,6.95,;13.84,5.48,;14.88,4.33,;14.72,-.28,;16.05,.49,;14.72,-1.82,)|
Structure:
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