Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with all data for entry = 2575   

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 5 (Homo sapiens (Human))	BDBM22218 (1,2,4-oxadiazole based compound, 35 | 1-[(4-{5-[4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(CCC(F)(F)F)cc2)C1 Show InChI InChI=1S/C22H20F3N3O3/c23-22(24,25)10-9-14-1-7-17(8-2-14)20-26-19(27-31-20)16-5-3-15(4-6-16)11-28-12-18(13-28)21(29)30/h1-8,18H,9-13H2,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	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 1 (Homo sapiens (Human))	BDBM22215 (1,2,4-oxadiazole based compound, 32 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCC2)C1 Show InChI InChI=1S/C24H25N3O3/c28-24(29)21-14-27(15-21)13-16-5-7-19(8-6-16)22-25-23(30-26-22)20-11-9-18(10-12-20)17-3-1-2-4-17/h5-12,17,21H,1-4,13-15H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	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 1 (Homo sapiens (Human))	BDBM22218 (1,2,4-oxadiazole based compound, 35 | 1-[(4-{5-[4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(CCC(F)(F)F)cc2)C1 Show InChI InChI=1S/C22H20F3N3O3/c23-22(24,25)10-9-14-1-7-17(8-2-14)20-26-19(27-31-20)16-5-3-15(4-6-16)11-28-12-18(13-28)21(29)30/h1-8,18H,9-13H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	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 5 (Homo sapiens (Human))	BDBM22220 (1,2,4-oxadiazole based compound, 37 | 1-{[4-(5-{4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)[C@@H]2CCC(F)(F)C2)C1 |r| Show InChI InChI=1S/C24H23F2N3O3/c25-24(26)10-9-19(11-24)16-5-7-18(8-6-16)22-27-21(28-32-22)17-3-1-15(2-4-17)12-29-13-20(14-29)23(30)31/h1-8,19-20H,9-14H2,(H,30,31)/t19-/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	0.400	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 5 (Homo sapiens (Human))	BDBM22219 (1,2,4-oxadiazole based compound, 36 | 1-{[4-(5-{4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)[C@H]2CCC(F)(F)C2)C1 |r| Show InChI InChI=1S/C24H23F2N3O3/c25-24(26)10-9-19(11-24)16-5-7-18(8-6-16)22-27-21(28-32-22)17-3-1-15(2-4-17)12-29-13-20(14-29)23(30)31/h1-8,19-20H,9-14H2,(H,30,31)/t19-/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	0.5	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 5 (Homo sapiens (Human))	BDBM22215 (1,2,4-oxadiazole based compound, 32 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCC2)C1 Show InChI InChI=1S/C24H25N3O3/c28-24(29)21-14-27(15-21)13-16-5-7-19(8-6-16)22-25-23(30-26-22)20-11-9-18(10-12-20)17-3-1-2-4-17/h5-12,17,21H,1-4,13-15H2,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	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 1 (Homo sapiens (Human))	BDBM22209 (1,2,4-oxadiazole based compound, 26 | 1-[(4-{5-[4-...) Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-15(2)11-16-3-9-19(10-4-16)22-24-21(25-29-22)18-7-5-17(6-8-18)12-26-13-20(14-26)23(27)28/h3-10,15,20H,11-14H2,1-2H3,(H,27,28)	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
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM22216 (1,2,4-oxadiazole based compound, 33 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCCC2)C1 Show InChI InChI=1S/C25H27N3O3/c29-25(30)22-15-28(16-22)14-17-6-8-20(9-7-17)23-26-24(31-27-23)21-12-10-19(11-13-21)18-4-2-1-3-5-18/h6-13,18,22H,1-5,14-16H2,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	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 1 (Homo sapiens (Human))	BDBM22220 (1,2,4-oxadiazole based compound, 37 | 1-{[4-(5-{4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)[C@@H]2CCC(F)(F)C2)C1 |r| Show InChI InChI=1S/C24H23F2N3O3/c25-24(26)10-9-19(11-24)16-5-7-18(8-6-16)22-27-21(28-32-22)17-3-1-15(2-4-17)12-29-13-20(14-29)23(30)31/h1-8,19-20H,9-14H2,(H,30,31)/t19-/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	0.800	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 1 (Homo sapiens (Human))	BDBM22219 (1,2,4-oxadiazole based compound, 36 | 1-{[4-(5-{4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)[C@H]2CCC(F)(F)C2)C1 |r| Show InChI InChI=1S/C24H23F2N3O3/c25-24(26)10-9-19(11-24)16-5-7-18(8-6-16)22-27-21(28-32-22)17-3-1-15(2-4-17)12-29-13-20(14-29)23(30)31/h1-8,19-20H,9-14H2,(H,30,31)/t19-/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	0.900	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 5 (Homo sapiens (Human))	BDBM22209 (1,2,4-oxadiazole based compound, 26 | 1-[(4-{5-[4-...) Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-15(2)11-16-3-9-19(10-4-16)22-24-21(25-29-22)18-7-5-17(6-8-18)12-26-13-20(14-26)23(27)28/h3-10,15,20H,11-14H2,1-2H3,(H,27,28)	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
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM22205 (1,2,4-oxadiazole based compound, 22 | 1-[(4-{5-[4-...) Show SMILES CCC(C)(C)c1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H27N3O3/c1-4-24(2,3)20-11-9-18(10-12-20)22-25-21(26-30-22)17-7-5-16(6-8-17)13-27-14-19(15-27)23(28)29/h5-12,19H,4,13-15H2,1-3H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	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 1 (Homo sapiens (Human))	BDBM22206 (1,2,4-oxadiazole based compound, 23 | 1-({4-[5-(4-...) Show SMILES CCCc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C22H23N3O3/c1-2-3-15-4-10-18(11-5-15)21-23-20(24-28-21)17-8-6-16(7-9-17)12-25-13-19(14-25)22(26)27/h4-11,19H,2-3,12-14H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	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 1 (Homo sapiens (Human))	BDBM22216 (1,2,4-oxadiazole based compound, 33 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCCC2)C1 Show InChI InChI=1S/C25H27N3O3/c29-25(30)22-15-28(16-22)14-17-6-8-20(9-7-17)23-26-24(31-27-23)21-12-10-19(11-13-21)18-4-2-1-3-5-18/h6-13,18,22H,1-5,14-16H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	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 5 (Homo sapiens (Human))	BDBM22206 (1,2,4-oxadiazole based compound, 23 | 1-({4-[5-(4-...) Show SMILES CCCc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C22H23N3O3/c1-2-3-15-4-10-18(11-5-15)21-23-20(24-28-21)17-8-6-16(7-9-17)12-25-13-19(14-25)22(26)27/h4-11,19H,2-3,12-14H2,1H3,(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	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 1 (Homo sapiens (Human))	BDBM22217 (1,2,4-oxadiazole based compound, 34 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)-c2ccccc2)C1 Show InChI InChI=1S/C25H21N3O3/c29-25(30)22-15-28(16-22)14-17-6-8-20(9-7-17)23-26-24(31-27-23)21-12-10-19(11-13-21)18-4-2-1-3-5-18/h1-13,22H,14-16H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	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 5 (Homo sapiens (Human))	BDBM22205 (1,2,4-oxadiazole based compound, 22 | 1-[(4-{5-[4-...) Show SMILES CCC(C)(C)c1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H27N3O3/c1-4-24(2,3)20-11-9-18(10-12-20)22-25-21(26-30-22)17-7-5-16(6-8-17)13-27-14-19(15-27)23(28)29/h5-12,19H,4,13-15H2,1-3H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	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 1 (Homo sapiens (Human))	BDBM22212 (1,2,4-oxadiazole based compound, 29 | 1-[(4-{5-[4-...) Show SMILES CC(C)Oc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C22H23N3O4/c1-14(2)28-19-9-7-17(8-10-19)21-23-20(24-29-21)16-5-3-15(4-6-16)11-25-12-18(13-25)22(26)27/h3-10,14,18H,11-13H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	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 1 (Homo sapiens (Human))	BDBM22214 (1,2,4-oxadiazole based compound, 31 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCC2)C1 Show InChI InChI=1S/C23H23N3O3/c27-23(28)20-13-26(14-20)12-15-4-6-18(7-5-15)21-24-22(29-25-21)19-10-8-17(9-11-19)16-2-1-3-16/h4-11,16,20H,1-3,12-14H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	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 5 (Homo sapiens (Human))	BDBM22207 (1,2,4-oxadiazole based compound, 24 | 1-({4-[5-(4-...) Show SMILES CCCCc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-2-3-4-16-5-11-19(12-6-16)22-24-21(25-29-22)18-9-7-17(8-10-18)13-26-14-20(15-26)23(27)28/h5-12,20H,2-4,13-15H2,1H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	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 1 (Homo sapiens (Human))	BDBM22207 (1,2,4-oxadiazole based compound, 24 | 1-({4-[5-(4-...) Show SMILES CCCCc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-2-3-4-16-5-11-19(12-6-16)22-24-21(25-29-22)18-9-7-17(8-10-18)13-26-14-20(15-26)23(27)28/h5-12,20H,2-4,13-15H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	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 1 (Homo sapiens (Human))	BDBM22210 (1,2,4-oxadiazole based compound, 27 | 1-[(4-{5-[4-...) Show SMILES CC(C)(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H27N3O3/c1-24(2,3)12-16-4-10-19(11-5-16)22-25-21(26-30-22)18-8-6-17(7-9-18)13-27-14-20(15-27)23(28)29/h4-11,20H,12-15H2,1-3H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	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 1 (Homo sapiens (Human))	BDBM22204 (1,2,4-oxadiazole based compound, 21 | 1-({4-[5-(4-...) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-17(9-11-19)21-24-20(25-29-21)16-6-4-15(5-7-16)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	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 5 (Homo sapiens (Human))	BDBM22214 (1,2,4-oxadiazole based compound, 31 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCC2)C1 Show InChI InChI=1S/C23H23N3O3/c27-23(28)20-13-26(14-20)12-15-4-6-18(7-5-15)21-24-22(29-25-21)19-10-8-17(9-11-19)16-2-1-3-16/h4-11,16,20H,1-3,12-14H2,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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 1 (Homo sapiens (Human))	BDBM22213 (1,2,4-oxadiazole based compound, 30 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CC2)C1 Show InChI InChI=1S/C22H21N3O3/c26-22(27)19-12-25(13-19)11-14-1-3-17(4-2-14)20-23-21(28-24-20)18-9-7-16(8-10-18)15-5-6-15/h1-4,7-10,15,19H,5-6,11-13H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	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 1 (Homo sapiens (Human))	BDBM22211 (1,2,4-oxadiazole based compound, 28 | 1-({4-[5-(4-...) Show SMILES CCOc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C21H21N3O4/c1-2-27-18-9-7-16(8-10-18)20-22-19(23-28-20)15-5-3-14(4-6-15)11-24-12-17(13-24)21(25)26/h3-10,17H,2,11-13H2,1H3,(H,25,26)	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 5 (Homo sapiens (Human))	BDBM22204 (1,2,4-oxadiazole based compound, 21 | 1-({4-[5-(4-...) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-17(9-11-19)21-24-20(25-29-21)16-6-4-15(5-7-16)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	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 5 (Homo sapiens (Human))	BDBM22208 (1,2,4-oxadiazole based compound, 25 | 1-({4-[5-(4-...) Show SMILES CCCCCCc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C25H29N3O3/c1-2-3-4-5-6-18-7-13-21(14-8-18)24-26-23(27-31-24)20-11-9-19(10-12-20)15-28-16-22(17-28)25(29)30/h7-14,22H,2-6,15-17H2,1H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40	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 5 (Homo sapiens (Human))	BDBM22210 (1,2,4-oxadiazole based compound, 27 | 1-[(4-{5-[4-...) Show SMILES CC(C)(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H27N3O3/c1-24(2,3)12-16-4-10-19(11-5-16)22-25-21(26-30-22)18-8-6-17(7-9-18)13-27-14-20(15-27)23(28)29/h4-11,20H,12-15H2,1-3H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60	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 1 (Homo sapiens (Human))	BDBM22203 (1,2,4-oxadiazole based compound, 13 | 1-({4-[3-(4-...) Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-16(9-11-19)20-24-21(29-25-20)17-6-4-15(5-7-17)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	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 5 (Homo sapiens (Human))	BDBM22217 (1,2,4-oxadiazole based compound, 34 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)-c2ccccc2)C1 Show InChI InChI=1S/C25H21N3O3/c29-25(30)22-15-28(16-22)14-17-6-8-20(9-7-17)23-26-24(31-27-23)21-12-10-19(11-13-21)18-4-2-1-3-5-18/h1-13,22H,14-16H2,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	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 5 (Homo sapiens (Human))	BDBM22212 (1,2,4-oxadiazole based compound, 29 | 1-[(4-{5-[4-...) Show SMILES CC(C)Oc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C22H23N3O4/c1-14(2)28-19-9-7-17(8-10-19)21-23-20(24-29-21)16-5-3-15(4-6-16)11-25-12-18(13-25)22(26)27/h3-10,14,18H,11-13H2,1-2H3,(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	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 5 (Homo sapiens (Human))	BDBM22213 (1,2,4-oxadiazole based compound, 30 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CC2)C1 Show InChI InChI=1S/C22H21N3O3/c26-22(27)19-12-25(13-19)11-14-1-3-17(4-2-14)20-23-21(28-24-20)18-9-7-16(8-10-18)15-5-6-15/h1-4,7-10,15,19H,5-6,11-13H2,(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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 5 (Homo sapiens (Human))	BDBM22203 (1,2,4-oxadiazole based compound, 13 | 1-({4-[3-(4-...) Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-16(9-11-19)20-24-21(29-25-20)17-6-4-15(5-7-17)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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 1 (Homo sapiens (Human))	BDBM22221 (1,3,4-oxadiazole based compound, 5 | 2-[5-(4-tert-...) Show SMILES CC(C)(C)c1ccc(cc1)-c1nnc(o1)-c1ccccc1N Show InChI InChI=1S/C18H19N3O/c1-18(2,3)13-10-8-12(9-11-13)16-20-21-17(22-16)14-6-4-5-7-15(14)19/h4-11H,19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	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 1 (Homo sapiens (Human))	BDBM22208 (1,2,4-oxadiazole based compound, 25 | 1-({4-[5-(4-...) Show SMILES CCCCCCc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C25H29N3O3/c1-2-3-4-5-6-18-7-13-21(14-8-18)24-26-23(27-31-24)20-11-9-19(10-12-20)15-28-16-22(17-28)25(29)30/h7-14,22H,2-6,15-17H2,1H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	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))	BDBM22216 (1,2,4-oxadiazole based compound, 33 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCCC2)C1 Show InChI InChI=1S/C25H27N3O3/c29-25(30)22-15-28(16-22)14-17-6-8-20(9-7-17)23-26-24(31-27-23)21-12-10-19(11-13-21)18-4-2-1-3-5-18/h6-13,18,22H,1-5,14-16H2,(H,29,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	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 5 (Homo sapiens (Human))	BDBM22211 (1,2,4-oxadiazole based compound, 28 | 1-({4-[5-(4-...) Show SMILES CCOc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C21H21N3O4/c1-2-27-18-9-7-16(8-10-18)20-22-19(23-28-20)15-5-3-14(4-6-15)11-24-12-17(13-24)21(25)26/h3-10,17H,2,11-13H2,1H3,(H,25,26)	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
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM22215 (1,2,4-oxadiazole based compound, 32 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCC2)C1 Show InChI InChI=1S/C24H25N3O3/c28-24(29)21-14-27(15-21)13-16-5-7-19(8-6-16)22-25-23(30-26-22)20-11-9-18(10-12-20)17-3-1-2-4-17/h5-12,17,21H,1-4,13-15H2,(H,28,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	49	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 4 (Homo sapiens (Human))	BDBM22219 (1,2,4-oxadiazole based compound, 36 | 1-{[4-(5-{4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)[C@H]2CCC(F)(F)C2)C1 |r| Show InChI InChI=1S/C24H23F2N3O3/c25-24(26)10-9-19(11-24)16-5-7-18(8-6-16)22-27-21(28-32-22)17-3-1-15(2-4-17)12-29-13-20(14-29)23(30)31/h1-8,19-20H,9-14H2,(H,30,31)/t19-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	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 4 (Homo sapiens (Human))	BDBM22209 (1,2,4-oxadiazole based compound, 26 | 1-[(4-{5-[4-...) Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-15(2)11-16-3-9-19(10-4-16)22-24-21(25-29-22)18-7-5-17(6-8-18)12-26-13-20(14-26)23(27)28/h3-10,15,20H,11-14H2,1-2H3,(H,27,28)	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
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM22205 (1,2,4-oxadiazole based compound, 22 | 1-[(4-{5-[4-...) Show SMILES CCC(C)(C)c1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H27N3O3/c1-4-24(2,3)20-11-9-18(10-12-20)22-25-21(26-30-22)17-7-5-16(6-8-17)13-27-14-19(15-27)23(28)29/h5-12,19H,4,13-15H2,1-3H3,(H,28,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	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 4 (Homo sapiens (Human))	BDBM22220 (1,2,4-oxadiazole based compound, 37 | 1-{[4-(5-{4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)[C@@H]2CCC(F)(F)C2)C1 |r| Show InChI InChI=1S/C24H23F2N3O3/c25-24(26)10-9-19(11-24)16-5-7-18(8-6-16)22-27-21(28-32-22)17-3-1-15(2-4-17)12-29-13-20(14-29)23(30)31/h1-8,19-20H,9-14H2,(H,30,31)/t19-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	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 4 (Homo sapiens (Human))	BDBM22210 (1,2,4-oxadiazole based compound, 27 | 1-[(4-{5-[4-...) Show SMILES CC(C)(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H27N3O3/c1-24(2,3)12-16-4-10-19(11-5-16)22-25-21(26-30-22)18-8-6-17(7-9-18)13-27-14-20(15-27)23(28)29/h4-11,20H,12-15H2,1-3H3,(H,28,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	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 1 (Homo sapiens (Human))	BDBM22201 (1,3,4-oxadiazole based compound, 9 | 1-({4-[5-(4-t...) Show SMILES CC(C)(C)c1ccc(cc1)-c1nnc(o1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-17(9-11-19)21-25-24-20(29-21)16-6-4-15(5-7-16)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	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))	BDBM22206 (1,2,4-oxadiazole based compound, 23 | 1-({4-[5-(4-...) Show SMILES CCCc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C22H23N3O3/c1-2-3-15-4-10-18(11-5-15)21-23-20(24-28-21)17-8-6-16(7-9-17)12-25-13-19(14-25)22(26)27/h4-11,19H,2-3,12-14H2,1H3,(H,26,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	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 4 (Homo sapiens (Human))	BDBM22217 (1,2,4-oxadiazole based compound, 34 | 1-({4-[5-(4-...) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)-c2ccccc2)C1 Show InChI InChI=1S/C25H21N3O3/c29-25(30)22-15-28(16-22)14-17-6-8-20(9-7-17)23-26-24(31-27-23)21-12-10-19(11-13-21)18-4-2-1-3-5-18/h1-13,22H,14-16H2,(H,29,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	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 4 (Homo sapiens (Human))	BDBM22207 (1,2,4-oxadiazole based compound, 24 | 1-({4-[5-(4-...) Show SMILES CCCCc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-2-3-4-16-5-11-19(12-6-16)22-24-21(25-29-22)18-9-7-17(8-10-18)13-26-14-20(15-26)23(27)28/h5-12,20H,2-4,13-15H2,1H3,(H,27,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	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 4 (Homo sapiens (Human))	BDBM22204 (1,2,4-oxadiazole based compound, 21 | 1-({4-[5-(4-...) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-17(9-11-19)21-24-20(25-29-21)16-6-4-15(5-7-16)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	370	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 4 (Homo sapiens (Human))	BDBM22212 (1,2,4-oxadiazole based compound, 29 | 1-[(4-{5-[4-...) Show SMILES CC(C)Oc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C22H23N3O4/c1-14(2)28-19-9-7-17(8-10-19)21-23-20(24-29-21)16-5-3-15(4-6-16)11-25-12-18(13-25)22(26)27/h3-10,14,18H,11-13H2,1-2H3,(H,26,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	370	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

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