Reaction Details Report a problem with these data
Target
Sodium/hydrogen exchanger 3
Ligand
BDBM381710
Substrate
n/a
Meas. Tech.
Cell-based activity under Prompt Conditions
IC50
2.00±n/a nM
Citation
Carreras, C; Charmot, D; Jacobs, JW; Labonte, E; Lewis, JG NHE3-binding compounds and methods for inhibiting phosphate transport US Patent US10272079 Publication Date 4/30/2019
More Info.:
Target
Name:
Sodium/hydrogen exchanger 3
Synonyms:
NHE3 | SL9A3_HUMAN | SLC9A3
Type:
PROTEIN
Mol. Mass.:
92861.96
Organism:
Homo sapiens (Human)
Description:
ChEMBL_141050
Residue:
834
Sequence:
MWGLGARGPDRGLLLALALGGLARAGGVEVEPGGAHGESGGFQVVTFEWAHVQDPYVIALWILVASLAKIGFHLSHKVTSVVPESALLIVLGLVLGGIVWAADHIASFTLTPTVFFFYLLPPIVLDAGYFMPNRLFFGNLGTILLYAVVGTVWNAATTGLSLYGVFLSGLMGDLQIGLLDFLLFGSLMAAVDPVAVLAVFEEVHVNEVLFIIVFGESLLNDAVTVVLYNVFESFVALGGDNVTGVDCVKGIVSFFVVSLGGTLVGVVFAFLLSLVTRFTKHVRIIEPGFVFIISYLSYLTSEMLSLSAILAITFCGICCQKYVKANISEQSATTVRYTMKMLASSAETIIFMFLGISAVNPFIWTWNTAFVLLTLVFISVYRAIGVVLQTWLLNRYRMVQLEPIDQVVLSYGGLRGAVAFALVVLLDGDKVKEKNLFVSTTIIVVFFTVIFQGLTIKPLVQWLKVKRSEHREPRLNEKLHGRAFDHILSAIEDISGQIGHNYLRDKWSHFDRKFLSRVLMRRSAQKSRDRILNVFHELNLKDAISYVAEGERRGSLAFIRSPSTDNVVNVDFTPRSSTVEASVSYLLRENVSAVCLDMQSLEQRRRSIRDAEDMVTHHTLQQYLYKPRQEYKHLYSRHELTPTEDEKQDREIFHRTMRKRLESFKSTKLGLNQNKKAAKLYKRERAQKRRNSSIPNGKLPMESPAQNFTIKEKDLELSDTEEPPNYDEEMSGGIEFLASVTKDTASDSPAGIDNPVFSPDEALDRSLLARLPPWLSPGETVVPSQRARTQIPYSPGTFCRLMPFRLSSKSVDSFLQADGPEERPPAALPESTHM
Inhibitor
Name:
BDBM381710
Synonyms:
US10272079, Compound 67
Type:
Small organic molecule
Emp. Form.:
C58H78Cl4N8O16S2
Mol. Mass.:
1349.226
SMILES:
CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNC(=O)CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)CC(O)=O)c2cc(Cl)cc(Cl)c2C1 |r|