BDBM22211 1,2,4-oxadiazole based compound, 28::1-({4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid::US10676467, Compound TZ 35 100
SMILES: CCOc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
InChI Key: InChIKey=IOIGVVYTXMGUFG-UHFFFAOYSA-N
Data: 7 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM22211 (1,2,4-oxadiazole based compound, 28 | 1-({4-[5-(4-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Merck Research Laboratories | Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m... | J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM22211 (1,2,4-oxadiazole based compound, 28 | 1-({4-[5-(4-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Merck Research Laboratories | Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m... | J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human)) | BDBM22211 (1,2,4-oxadiazole based compound, 28 | 1-({4-[5-(4-...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
Merck Research Laboratories | Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m... | J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM22211 (1,2,4-oxadiazole based compound, 28 | 1-({4-[5-(4-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University US Patent | Assay Description Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur... | US Patent US10676467 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM22211 (1,2,4-oxadiazole based compound, 28 | 1-({4-[5-(4-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 8.53 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University US Patent | Assay Description Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur... | US Patent US10676467 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM22211 (1,2,4-oxadiazole based compound, 28 | 1-({4-[5-(4-...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University US Patent | Assay Description Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedur... | US Patent US10676467 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human)) | BDBM22211 (1,2,4-oxadiazole based compound, 28 | 1-({4-[5-(4-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | 25 |
Merck Research Laboratories | Assay Description The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m... | J Med Chem 48: 6169-73 (2005) Article DOI: 10.1021/jm0503244 BindingDB Entry DOI: 10.7270/Q26971W9 | |||||||||||
More data for this Ligand-Target Pair |