BDBM50324676 (R)-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid::CHEMBL1221649

SMILES CCCCCCc1cccc(NC(=O)[C@H](N)CCP(O)(O)=O)c1

InChI Key InChIKey=FWJRVGZWNDOOFH-OAHLLOKOSA-N

Data  2 KI

PDB links: 2 PDB IDs match this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50324676   

TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50324676((R)-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosp...)
Show SMILES CCCCCCc1cccc(NC(=O)[C@H](N)CCP(O)(O)=O)c1
Show InChI InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m1/s1
Affinity DataKi:  18nMAssay Description:Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma bindingMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50324676((R)-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosp...)
Show SMILES CCCCCCc1cccc(NC(=O)[C@H](N)CCP(O)(O)=O)c1
Show InChI InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m1/s1
Affinity DataKi:  77nMAssay Description:Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma bindingMore data for this Ligand-Target Pair