Reaction Details Report a problem with these data
Target
Sodium/hydrogen exchanger 1
Ligand
BDBM50378116
Substrate
n/a
Meas. Tech.
ChEMBL_583577 (CHEMBL1059092)
IC50
0.94±n/a nM
Citation
 Zhang, R; Dong, J; Xu, YG; Hua, WY; Wen, N; You, QD Synthesis and bioactivity of substituted indan-1-ylideneaminoguanidine derivatives. Eur J Med Chem 44:3771-6 (2009) [PubMed]  Article 
Target
Name:
Sodium/hydrogen exchanger 1
Synonyms:
NHE-1 | Na(+)/H(+) exchanger 1 | Nhe1 | SL9A1_RAT | Slc9a1 | Solute carrier family 9 member 1
Type:
PROTEIN
Mol. Mass.:
91655.00
Organism:
Rattus norvegicus
Description:
ChEMBL_862370
Residue:
820
Sequence:
MMLRWSGIWGLYPPRIFPSLLVVVALVGLLPVLRSHGLQLNPTASTIRGSEPPRERSIGDVTTAPSEPLHHPDDRNLTNLYIEHGAKPVRKAFPVLDIDYLHVRTPFEISLWILLACLMKIGFHVIPTISSIVPESCLLIVVGLLVGGLIKGVGETPPFLQSDVFFLFLLPPIILDAGYFLPLRQFTENLGTILIFAVVGTLWNAFFLGGLLYAVCLVGGEQINNIGLLDTLLFGSIISAVDPVAVLAVFEEIHINELLHILVFGESLLNDAVTVVLYHLFEEFASYEYVGISDIFLGFLSFFVVSLGGVFVGVVYGVIAAFTSRFTSHIRVIEPLFVFLYSYMAYLSAELFHLSGIMALIASGVVMRPYVEANISHKSHTTIKYFLKMWSSVSETLIFIFLGVSTVAGSHQWNWTFVISTLLFCLIARVLGVLVLTWFINKFRIVKLTPKDQFIIAYGGLRGAIAFSLGYLLDKKHFPMCDLFLTAIITVIFFTVFVQGMTIRPLVDLLAVKKKQETKRSINEEIHTQFLDHLLTGIEDICGHYGHHHWKDKLNRFNKKYVKKCLIAGERSKEPQLIAFYHKMEMKQAIELVESGGMGKIPSAVSTVSMQNIHPKSAASERILPALSKDKEEEIRKILRSNLQKTRQRLRSYNRHTLVADPYEEAWNQMLLRRQKARQLEQKITNYLTVPAHKLDSPTMSRARIGSDPLAYEPKADLPVITIDPASPQSPESVDLVNEELKGKVLGLKRGPRTTPEEEEEDEDGVIMIRSKEPSSPGTDDVFTPGPSDSPGSQRIQRCLSDPGPHPEPGEGEPFIPKGQ
  
Inhibitor
Name:
BDBM50378116
Synonyms:
CHEMBL1202327
Type:
Small organic molecule
Emp. Form.:
C18H17ClN6OS
Mol. Mass.:
400.885
SMILES:
COc1ccc2nc(SC3Cc4cc(Cl)ccc4C3=NN=C(N)N)[nH]c2c1 |w:19.21,(-3.73,2.77,;-3.72,1.54,;-2.38,.77,;-2.38,-.77,;-1.03,-1.56,;.3,-.77,;1.76,-1.24,;2.66,.02,;4.21,.04,;4.96,1.39,;4.31,2.74,;5.42,3.8,;5.37,5.35,;6.71,6.16,;6.68,7.39,;8.06,5.42,;8.1,3.86,;6.77,3.07,;6.48,1.56,;7.53,.42,;9.03,.76,;10.08,-.38,;11.29,-.11,;9.71,-1.55,;1.76,1.24,;.3,.77,;-1.03,1.56,)|
Structure:
Search PDB for entries with ligand similarity: