BindingDB PrimarySearch

BDBM22209 1,2,4-oxadiazole based compound, 26::1-[(4-{5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]azetidine-3-carboxylic acid::CHEMBL194419

SMILES: CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1

InChI Key: InChIKey=SHQNRSGKLNMHOS-UHFFFAOYSA-N

Data: 11 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 22209
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22209 (1,2,4-oxadiazole based compound, 26 \| 1-[(4-{5-[4-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	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
Merck Research Laboratories					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM22209 (1,2,4-oxadiazole based compound, 26 \| 1-[(4-{5-[4-...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	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
Merck Research Laboratories					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM22209 (1,2,4-oxadiazole based compound, 26 \| 1-[(4-{5-[4-...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	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
Merck Research Laboratories					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22209 (1,2,4-oxadiazole based compound, 26 \| 1-[(4-{5-[4-...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	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
Merck Research Laboratories					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22209 (1,2,4-oxadiazole based compound, 26 \| 1-[(4-{5-[4-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3564-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.090 BindingDB Entry DOI: 10.7270/Q2WS8SWT
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM22209 (1,2,4-oxadiazole based compound, 26 \| 1-[(4-{5-[4-...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P3R expressed in CHO cell membranes				ACS Med Chem Lett 2: 97-101 (2011) Article DOI: 10.1021/ml100227q BindingDB Entry DOI: 10.7270/Q2WM1DP6
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM22209 (1,2,4-oxadiazole based compound, 26 \| 1-[(4-{5-[4-...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P4 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3564-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.090 BindingDB Entry DOI: 10.7270/Q2WS8SWT
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22209 (1,2,4-oxadiazole based compound, 26 \| 1-[(4-{5-[4-...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P5 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3564-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.090 BindingDB Entry DOI: 10.7270/Q2WS8SWT
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM22209 (1,2,4-oxadiazole based compound, 26 \| 1-[(4-{5-[4-...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P2 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3564-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.090 BindingDB Entry DOI: 10.7270/Q2WS8SWT
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22209 (1,2,4-oxadiazole based compound, 26 \| 1-[(4-{5-[4-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranes				ACS Med Chem Lett 2: 97-101 (2011) Article DOI: 10.1021/ml100227q BindingDB Entry DOI: 10.7270/Q2WM1DP6
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM22209 (1,2,4-oxadiazole based compound, 26 \| 1-[(4-{5-[4-...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3564-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.090 BindingDB Entry DOI: 10.7270/Q2WS8SWT
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair