BDBM50158349 1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylic acid::CHEMBL225575

SMILES: OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1

InChI Key: InChIKey=QGDUQFMYMKUVHT-UHFFFAOYSA-N

Data: 5 IC50  5 EC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50158349   

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))	BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at human S1P3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 23: 6377-89 (2013) Article DOI: 10.1016/j.bmcl.2013.09.058 BindingDB Entry DOI: 10.7270/Q2FR00KV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	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]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as stimulation of [35S]GTPgamma binding				Bioorg Med Chem Lett 22: 1788-92 (2012) Article DOI: 10.1016/j.bmcl.2011.12.019 BindingDB Entry DOI: 10.7270/Q2Z038MT
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding				Bioorg Med Chem Lett 22: 1788-92 (2012) Article DOI: 10.1016/j.bmcl.2011.12.019 BindingDB Entry DOI: 10.7270/Q2Z038MT
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50158349 (1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair