BDBM50027942 CHEMBL3344423

SMILES N[C@@H](CO)COc1cc(Cl)c(cc1F)-c1noc(n1)N1CCN(CC1)C(=O)c1cccc(Cl)c1

InChI Key InChIKey=AJXAOSOMBAPPOA-HNNXBMFYSA-N

Data  2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50027942   

TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50027942(CHEMBL3344423)
Show SMILES N[C@@H](CO)COc1cc(Cl)c(cc1F)-c1noc(n1)N1CCN(CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22Cl2FN5O4/c23-14-3-1-2-13(8-14)21(32)29-4-6-30(7-5-29)22-27-20(28-34-22)16-9-18(25)19(10-17(16)24)33-12-15(26)11-31/h1-3,8-10,15,31H,4-7,11-12,26H2/t15-/m0/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human S1P3 receptor expressed in human EDG3-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50027942(CHEMBL3344423)
Show SMILES N[C@@H](CO)COc1cc(Cl)c(cc1F)-c1noc(n1)N1CCN(CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22Cl2FN5O4/c23-14-3-1-2-13(8-14)21(32)29-4-6-30(7-5-29)22-27-20(28-34-22)16-9-18(25)19(10-17(16)24)33-12-15(26)11-31/h1-3,8-10,15,31H,4-7,11-12,26H2/t15-/m0/s1
Affinity DataEC50:  12nMAssay Description:Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayMore data for this Ligand-Target Pair