Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 2578   

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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22222 (3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(trifluorom...) Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C22H21F3N2O4/c1-12(2)30-18-8-6-15(11-17(18)22(23,24)25)21-26-20(27-31-21)16-7-4-14(10-13(16)3)5-9-19(28)29/h4,6-8,10-12H,5,9H2,1-3H3,(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	0.0800	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22229 ((1S,2R)-2-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(cc1C)[C@@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H21N3O4/c1-12(2)29-20-7-5-15(9-16(20)11-24)22-25-21(26-30-22)17-6-4-14(8-13(17)3)18-10-19(18)23(27)28/h4-9,12,18-19H,10H2,1-3H3,(H,27,28)/t18-,19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	37.7	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22224 (2-methyl-3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(t...) Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CC(C)C(O)=O)cc1C Show InChI InChI=1S/C23H23F3N2O4/c1-12(2)31-19-8-6-16(11-18(19)23(24,25)26)21-27-20(28-32-21)17-7-5-15(9-13(17)3)10-14(4)22(29)30/h5-9,11-12,14H,10H2,1-4H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22225 (3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(trifluorom...) Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(cc1C)C(C)CC(O)=O Show InChI InChI=1S/C23H23F3N2O4/c1-12(2)31-19-8-6-16(11-18(19)23(24,25)26)22-27-21(28-32-22)17-7-5-15(9-14(17)4)13(3)10-20(29)30/h5-9,11-13H,10H2,1-4H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.120	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22226 (3-(5-{5-[3-cyano-4-(propan-2-yloxy)phenyl]-1,2,4-o...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)nc1C Show InChI InChI=1S/C21H20N4O4/c1-12(2)28-18-8-4-14(10-15(18)11-22)21-24-20(25-29-21)17-7-5-16(23-13(17)3)6-9-19(26)27/h4-5,7-8,10,12H,6,9H2,1-3H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.440	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22227 ((1S,2S)-2-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(tr...) Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(cc1C)[C@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H21F3N2O4/c1-11(2)31-19-7-5-14(9-18(19)23(24,25)26)21-27-20(28-32-21)15-6-4-13(8-12(15)3)16-10-17(16)22(29)30/h4-9,11,16-17H,10H2,1-3H3,(H,29,30)/t16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.210	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22228 ((1S,2S)-2-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(cc1C)[C@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H21N3O4/c1-12(2)29-20-7-5-15(9-16(20)11-24)22-25-21(26-30-22)17-6-4-14(8-13(17)3)18-10-19(18)23(27)28/h4-9,12,18-19H,10H2,1-3H3,(H,27,28)/t18-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.450	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22229 ((1S,2R)-2-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(cc1C)[C@@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H21N3O4/c1-12(2)29-20-7-5-15(9-16(20)11-24)22-25-21(26-30-22)17-6-4-14(8-13(17)3)18-10-19(18)23(27)28/h4-9,12,18-19H,10H2,1-3H3,(H,27,28)/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM22222 (3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(trifluorom...) Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C22H21F3N2O4/c1-12(2)30-18-8-6-15(11-17(18)22(23,24)25)21-26-20(27-31-21)16-7-4-14(10-13(16)3)5-9-19(28)29/h4,6-8,10-12H,5,9H2,1-3H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM22223 (3-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]-1,2,4-o...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C22H21N3O4/c1-13(2)28-19-8-6-16(11-17(19)12-23)22-24-21(25-29-22)18-7-4-15(10-14(18)3)5-9-20(26)27/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM22224 (2-methyl-3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(t...) Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CC(C)C(O)=O)cc1C Show InChI InChI=1S/C23H23F3N2O4/c1-12(2)31-19-8-6-16(11-18(19)23(24,25)26)21-27-20(28-32-21)17-7-5-15(9-13(17)3)10-14(4)22(29)30/h5-9,11-12,14H,10H2,1-4H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM22225 (3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(trifluorom...) Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(cc1C)C(C)CC(O)=O Show InChI InChI=1S/C23H23F3N2O4/c1-12(2)31-19-8-6-16(11-18(19)23(24,25)26)22-27-21(28-32-22)17-7-5-15(9-14(17)4)13(3)10-20(29)30/h5-9,11-13H,10H2,1-4H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	184	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM22226 (3-(5-{5-[3-cyano-4-(propan-2-yloxy)phenyl]-1,2,4-o...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)nc1C Show InChI InChI=1S/C21H20N4O4/c1-12(2)28-18-8-4-14(10-15(18)11-22)21-24-20(25-29-21)17-7-5-16(23-13(17)3)6-9-19(26)27/h4-5,7-8,10,12H,6,9H2,1-3H3,(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.76E+3	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM22227 ((1S,2S)-2-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(tr...) Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(cc1C)[C@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H21F3N2O4/c1-11(2)31-19-7-5-14(9-18(19)23(24,25)26)21-27-20(28-32-21)15-6-4-13(8-12(15)3)16-10-17(16)22(29)30/h4-9,11,16-17H,10H2,1-3H3,(H,29,30)/t16-,17+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	123	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM22228 ((1S,2S)-2-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(cc1C)[C@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H21N3O4/c1-12(2)29-20-7-5-15(9-16(20)11-24)22-25-21(26-30-22)17-6-4-14(8-13(17)3)18-10-19(18)23(27)28/h4-9,12,18-19H,10H2,1-3H3,(H,27,28)/t18-,19+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM22229 ((1S,2R)-2-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(cc1C)[C@@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H21N3O4/c1-12(2)29-20-7-5-15(9-16(20)11-24)22-25-21(26-30-22)17-6-4-14(8-13(17)3)18-10-19(18)23(27)28/h4-9,12,18-19H,10H2,1-3H3,(H,27,28)/t18-,19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22222 (3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(trifluorom...) Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C22H21F3N2O4/c1-12(2)30-18-8-6-15(11-17(18)22(23,24)25)21-26-20(27-31-21)16-7-4-14(10-13(16)3)5-9-19(28)29/h4,6-8,10-12H,5,9H2,1-3H3,(H,28,29)	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	40	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22223 (3-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]-1,2,4-o...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C22H21N3O4/c1-13(2)28-19-8-6-16(11-17(19)12-23)22-24-21(25-29-22)18-7-4-15(10-14(18)3)5-9-20(26)27/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,26,27)	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	6.5	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22224 (2-methyl-3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(t...) Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CC(C)C(O)=O)cc1C Show InChI InChI=1S/C23H23F3N2O4/c1-12(2)31-19-8-6-16(11-18(19)23(24,25)26)21-27-20(28-32-21)17-7-5-15(9-13(17)3)10-14(4)22(29)30/h5-9,11-12,14H,10H2,1-4H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.90	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22225 (3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(trifluorom...) Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(cc1C)C(C)CC(O)=O Show InChI InChI=1S/C23H23F3N2O4/c1-12(2)31-19-8-6-16(11-18(19)23(24,25)26)22-27-21(28-32-22)17-7-5-15(9-14(17)4)13(3)10-20(29)30/h5-9,11-13H,10H2,1-4H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.90	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22226 (3-(5-{5-[3-cyano-4-(propan-2-yloxy)phenyl]-1,2,4-o...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)nc1C Show InChI InChI=1S/C21H20N4O4/c1-12(2)28-18-8-4-14(10-15(18)11-22)21-24-20(25-29-21)17-7-5-16(23-13(17)3)6-9-19(26)27/h4-5,7-8,10,12H,6,9H2,1-3H3,(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	28.6	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22227 ((1S,2S)-2-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(tr...) Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(cc1C)[C@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H21F3N2O4/c1-11(2)31-19-7-5-14(9-18(19)23(24,25)26)21-27-20(28-32-21)15-6-4-13(8-12(15)3)16-10-17(16)22(29)30/h4-9,11,16-17H,10H2,1-3H3,(H,29,30)/t16-,17+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.10	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22228 ((1S,2S)-2-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(cc1C)[C@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H21N3O4/c1-12(2)29-20-7-5-15(9-16(20)11-24)22-25-21(26-30-22)17-6-4-14(8-13(17)3)18-10-19(18)23(27)28/h4-9,12,18-19H,10H2,1-3H3,(H,27,28)/t18-,19+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13.6	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22223 (3-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]-1,2,4-o...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C22H21N3O4/c1-13(2)28-19-8-6-16(11-17(19)12-23)22-24-21(25-29-22)18-7-4-15(10-14(18)3)5-9-20(26)27/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,26,27)	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	0.0800	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair