Reaction Details Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50216071
Substrate
n/a
Meas. Tech.
ChEMBL_439840 (CHEMBL890161)
EC50
1.2±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:
BDBM50216071
Synonyms:
(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-2-{2-[(2S)-2-[(3-hydroxyphenyl)formamido]-3-phenylpropanamido]acetamido}-4-methylpentanamide | CHEMBL226566
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)c1cccc(O)c1)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,(7.83,4.08,;7.83,2.54,;9.16,1.76,;6.49,1.76,;6.49,.22,;5.16,-.54,;3.82,.23,;3.82,1.77,;2.49,-.54,;1.15,.22,;-.18,-.55,;-.18,-2.09,;-1.51,.22,;-1.51,1.76,;-.19,2.54,;1.15,1.77,;2.48,2.54,;2.48,4.08,;1.15,4.85,;-.19,4.08,;-2.85,-.55,;-4.18,.22,;-5.51,-.54,;-4.18,1.75,;-2.85,2.52,;-2.84,4.05,;-4.17,4.82,;-5.51,4.05,;-6.84,4.81,;-5.5,2.52,;7.83,-.54,;7.83,-2.08,;9.16,.23,;10.5,-.53,;10.5,-2.07,;11.83,-2.84,;11.83,-4.38,;13.16,-5.16,;13.17,-6.7,;11.84,-7.46,;14.5,-7.47,;11.83,.24,;11.83,1.78,;13.16,-.53,;14.5,.24,;14.5,1.78,;15.83,2.55,;17.23,1.93,;18.26,3.07,;17.49,4.41,;17.97,5.88,;16.93,7.02,;15.42,6.7,;14.95,5.23,;15.99,4.09,;15.83,-.53,;17.15,.24,;15.83,-2.07,)|
Structure:
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