Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50034144   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50357781 (CHEMBL1916559) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50357781 (CHEMBL1916559) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50357764 (CHEMBL1916399) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50357764 (CHEMBL1916399) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50357781 (CHEMBL1916559) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50357764 (CHEMBL1916399) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50357781 (CHEMBL1916559) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50357764 (CHEMBL1916399) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50357781 (CHEMBL1916559) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50357764 (CHEMBL1916399) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357781 (CHEMBL1916559) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]astemizole from human ERG				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357764 (CHEMBL1916399) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]astemizole from human ERG				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357764 (CHEMBL1916399) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357765 (CHEMBL1916400) Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N(CC=C)c1ccccc1 Show InChI InChI=1S/C15H13Cl2NO2S/c1-2-8-18(14-6-4-3-5-7-14)21(19,20)15-10-12(16)9-13(17)11-15/h2-7,9-11H,1,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357763 (CHEMBL1916402) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C17H8F6N4O/c18-16(19,20)11-4-9(5-12(6-11)17(21,22)23)15-25-14(27-28-15)8-1-2-13-10(3-8)7-24-26-13/h1-7H,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.20	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357766 (CHEMBL1916403) Show SMILES OC(=O)CCn1ncc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H12F6N4O3/c21-19(22,23)13-6-11(7-14(8-13)20(24,25)26)18-28-17(29-33-18)10-1-2-15-12(5-10)9-27-30(15)4-3-16(31)32/h1-2,5-9H,3-4H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.80	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357767 (CHEMBL1916404) Show SMILES OC(=O)CCCn1ncc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H14F6N4O3/c22-20(23,24)14-7-12(8-15(9-14)21(25,26)27)19-29-18(30-34-19)11-3-4-16-13(6-11)10-28-31(16)5-1-2-17(32)33/h3-4,6-10H,1-2,5H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.90	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357768 (CHEMBL1916405) Show SMILES OC(=O)CCCCn1cc2cc(ccc2n1)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H16F6N4O3/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)20-29-19(31-35-20)12-4-5-17-14(7-12)11-32(30-17)6-2-1-3-18(33)34/h4-5,7-11H,1-3,6H2,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357769 (CHEMBL1916406) Show SMILES CCOC(=O)CCn1ncc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H16F6N4O3/c1-2-34-18(33)5-6-32-17-4-3-12(7-14(17)11-29-32)19-30-20(35-31-19)13-8-15(21(23,24)25)10-16(9-13)22(26,27)28/h3-4,7-11H,2,5-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357770 (CHEMBL1916407) Show SMILES COC(=O)CCCCn1cc2cc(ccc2n1)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H18F6N4O3/c1-35-19(34)4-2-3-7-33-12-15-8-13(5-6-18(15)31-33)20-30-21(36-32-20)14-9-16(22(24,25)26)11-17(10-14)23(27,28)29/h5-6,8-12H,2-4,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	297	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357771 (CHEMBL1916408) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C16H11F6N5O/c17-15(18,19)9-3-8(4-10(5-9)16(20,21)22)13-25-14(26-28-13)27-2-1-11-12(6-27)24-7-23-11/h3-5,7H,1-2,6H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	406	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357772 (CHEMBL1916409) Show SMILES COc1ccc2CN(CCc2c1)c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H15F6N3O2/c1-30-16-3-2-12-10-29(5-4-11(12)8-16)18-27-17(31-28-18)13-6-14(19(21,22)23)9-15(7-13)20(24,25)26/h2-3,6-9H,4-5,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357773 (CHEMBL1916410) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)N1CCc2[nH]ncc2C1 Show InChI InChI=1S/C16H11F6N5O/c17-15(18,19)10-3-8(4-11(5-10)16(20,21)22)13-24-14(26-28-13)27-2-1-12-9(7-27)6-23-25-12/h3-6H,1-2,7H2,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357774 (CHEMBL1916411) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C18H9F6N3O/c19-17(20,21)12-6-11(7-13(8-12)18(22,23)24)16-26-15(27-28-16)10-1-2-14-9(5-10)3-4-25-14/h1-8,25H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	75	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357775 (CHEMBL1916553) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)-c1ccc2nc[nH]c2c1 Show InChI InChI=1S/C17H8F6N4O/c18-16(19,20)10-3-9(4-11(6-10)17(21,22)23)15-26-14(27-28-15)8-1-2-12-13(5-8)25-7-24-12/h1-7H,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.30	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357776 (CHEMBL1916554) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)-c1ccc2NCCc2c1 Show InChI InChI=1S/C18H11F6N3O/c19-17(20,21)12-6-11(7-13(8-12)18(22,23)24)16-26-15(27-28-16)10-1-2-14-9(5-10)3-4-25-14/h1-2,5-8,25H,3-4H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357777 (CHEMBL1916555) Show SMILES OC(=O)COc1ccc2CN(CCc2c1)c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H15F6N3O4/c22-20(23,24)14-5-13(6-15(8-14)21(25,26)27)18-28-19(29-34-18)30-4-3-11-7-16(33-10-17(31)32)2-1-12(11)9-30/h1-2,5-8H,3-4,9-10H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357778 (CHEMBL1916556) Show SMILES OC(=O)CCCn1ncc2CN(CCc12)c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6N5O3/c21-19(22,23)13-6-11(7-14(8-13)20(24,25)26)17-28-18(29-34-17)30-5-3-15-12(10-30)9-27-31(15)4-1-2-16(32)33/h6-9H,1-5,10H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	369	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357779 (CHEMBL1916557) Show SMILES OC(=O)CCC(=O)n1ccc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H13F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,5-10H,3-4H2,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357780 (CHEMBL1916558) Show SMILES OC(=O)CCc1nc2ccc(cc2[nH]1)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H12F6N4O3/c21-19(22,23)11-5-10(6-12(8-11)20(24,25)26)18-29-17(30-33-18)9-1-2-13-14(7-9)28-15(27-13)3-4-16(31)32/h1-2,5-8H,3-4H2,(H,27,28)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357781 (CHEMBL1916559) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.60	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357782 (CHEMBL1916580) Show SMILES COc1cc(cc(c1)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O)C#N Show InChI InChI=1S/C22H18N4O5/c1-30-17-9-13(12-23)8-16(11-17)22-24-21(25-31-22)15-2-3-18-14(10-15)6-7-26(18)19(27)4-5-20(28)29/h2-3,8-11H,4-7H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10.3	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357783 (CHEMBL1916560) Show SMILES OC(=O)CCN1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H15F6N3O3/c22-20(23,24)14-8-13(9-15(10-14)21(25,26)27)19-28-18(29-33-19)12-1-2-16-11(7-12)3-5-30(16)6-4-17(31)32/h1-2,7-10H,3-6H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.10	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357784 (CHEMBL1916561) Show SMILES OC(=O)CCCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H17F6N3O4/c24-22(25,26)15-9-14(10-16(11-15)23(27,28)29)21-30-20(31-36-21)13-4-5-17-12(8-13)6-7-32(17)18(33)2-1-3-19(34)35/h4-5,8-11H,1-3,6-7H2,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.60	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357785 (CHEMBL1916562) Show SMILES OC(=O)CC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H13F6N3O4/c22-20(23,24)13-6-12(7-14(8-13)21(25,26)27)19-28-18(29-34-19)11-1-2-15-10(5-11)3-4-30(15)16(31)9-17(32)33/h1-2,5-8H,3-4,9H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	102	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357786 (CHEMBL1916563) Show SMILES N[C@@H](CC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(O)=O |r| Show InChI InChI=1S/C22H16F6N4O4/c23-21(24,25)13-6-12(7-14(8-13)22(26,27)28)19-30-18(31-36-19)11-1-2-16-10(5-11)3-4-32(16)17(33)9-15(29)20(34)35/h1-2,5-8,15H,3-4,9,29H2,(H,34,35)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.63	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357787 (CHEMBL1916564) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1ccc(C2CCCC2)c(Cl)c1 Show InChI InChI=1S/C25H24ClN3O4/c26-20-14-18(5-7-19(20)15-3-1-2-4-15)25-27-24(28-33-25)17-6-8-21-16(13-17)11-12-29(21)22(30)9-10-23(31)32/h5-8,13-15H,1-4,9-12H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.820	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50357781 (CHEMBL1916559) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	88	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at recombinant human S1P5 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357789 (CHEMBL1916566) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1ccc(OC2CCCC2)c(c1)C#N Show InChI InChI=1S/C26H24N4O5/c27-15-19-14-18(6-8-22(19)34-20-3-1-2-4-20)26-28-25(29-35-26)17-5-7-21-16(13-17)11-12-30(21)23(31)9-10-24(32)33/h5-8,13-14,20H,1-4,9-12H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357790 (CHEMBL1916567) Show SMILES CC[C@H](C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C24H24ClN3O5/c1-3-14(2)32-20-7-5-17(13-18(20)25)24-26-23(27-33-24)16-4-6-19-15(12-16)10-11-28(19)21(29)8-9-22(30)31/h4-7,12-14H,3,8-11H2,1-2H3,(H,30,31)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357791 (CHEMBL1916568) Show SMILES COc1cc(ccc1OC(F)F)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O Show InChI InChI=1S/C22H19F2N3O6/c1-31-17-11-14(3-5-16(17)32-22(23)24)21-25-20(26-33-21)13-2-4-15-12(10-13)8-9-27(15)18(28)6-7-19(29)30/h2-5,10-11,22H,6-9H2,1H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357792 (CHEMBL1916569) Show SMILES CC(C)Oc1cc(ccc1C#N)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O Show InChI InChI=1S/C24H22N4O5/c1-14(2)32-20-12-17(3-4-18(20)13-25)24-26-23(27-33-24)16-5-6-19-15(11-16)9-10-28(19)21(29)7-8-22(30)31/h3-6,11-12,14H,7-10H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357793 (CHEMBL1916570) Show SMILES COc1ccc(cc1OC(F)(F)F)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O Show InChI InChI=1S/C22H18F3N3O6/c1-32-16-5-3-14(11-17(16)33-22(23,24)25)21-26-20(27-34-21)13-2-4-15-12(10-13)8-9-28(15)18(29)6-7-19(30)31/h2-5,10-11H,6-9H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357794 (CHEMBL1916571) Show SMILES CC(C)Oc1ccc(cc1Br)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O Show InChI InChI=1S/C23H22BrN3O5/c1-13(2)31-19-6-4-16(12-17(19)24)23-25-22(26-32-23)15-3-5-18-14(11-15)9-10-27(18)20(28)7-8-21(29)30/h3-6,11-13H,7-10H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357795 (CHEMBL1916572) Show SMILES CCc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O Show InChI InChI=1S/C23H20F3N3O4/c1-2-13-3-4-16(12-17(13)23(24,25)26)22-27-21(28-33-22)15-5-6-18-14(11-15)9-10-29(18)19(30)7-8-20(31)32/h3-6,11-12H,2,7-10H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357796 (CHEMBL1916573) Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1ccc(Cl)c(OC(F)(F)F)c1 Show InChI InChI=1S/C21H15ClF3N3O5/c22-14-3-1-13(10-16(14)32-21(23,24)25)20-26-19(27-33-20)12-2-4-15-11(9-12)7-8-28(15)17(29)5-6-18(30)31/h1-4,9-10H,5-8H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.30	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357797 (CHEMBL1916574) Show SMILES COc1ccc(cc1C#N)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O Show InChI InChI=1S/C22H18N4O5/c1-30-18-5-3-15(11-16(18)12-23)22-24-21(25-31-22)14-2-4-17-13(10-14)8-9-26(17)19(27)6-7-20(28)29/h2-5,10-11H,6-9H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.30	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357798 (CHEMBL1916575) Show SMILES COc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O Show InChI InChI=1S/C22H18F3N3O5/c1-32-17-5-3-14(11-15(17)22(23,24)25)21-26-20(27-33-21)13-2-4-16-12(10-13)8-9-28(16)18(29)6-7-19(30)31/h2-5,10-11H,6-9H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357799 (CHEMBL1916576) Show SMILES COc1ccc(cc1C)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O Show InChI InChI=1S/C22H21N3O5/c1-13-11-16(4-6-18(13)29-2)22-23-21(24-30-22)15-3-5-17-14(12-15)9-10-25(17)19(26)7-8-20(27)28/h3-6,11-12H,7-10H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50357800 (CHEMBL1916577) Show SMILES COc1ccc(cc1Cl)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O Show InChI InChI=1S/C21H18ClN3O5/c1-29-17-5-3-14(11-15(17)22)21-23-20(24-30-21)13-2-4-16-12(10-13)8-9-25(16)18(26)6-7-19(27)28/h2-5,10-11H,6-9H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 69 total )  |  Next  |  Last  >>

Jump to: