Compile Data Set for Download or QSAR

Found 508 hits Enz. Inhib. hit(s) with all data for entry = 3881   

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))	BDBM36815 (6-Bromo-3-(4,5-dihydro-thiazol-2-ylsulfanylmethyl)...) Show SMILES Brc1ccc2n(CSC3=NCCS3)c(=O)oc2c1 |t:8| Show InChI InChI=1S/C11H9BrN2O2S2/c12-7-1-2-8-9(5-7)16-11(15)14(8)6-18-10-13-3-4-17-10/h1-2,5H,3-4,6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36816 (1-(2-Ethyl-piperidin-1-yl)-2-[5-(1H-indol-3-yl)-[1...) Show SMILES CCC1CCCCN1C(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C19H22N4O2S/c1-2-13-7-5-6-10-23(13)17(24)12-26-19-22-21-18(25-19)15-11-20-16-9-4-3-8-14(15)16/h3-4,8-9,11,13,20H,2,5-7,10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.62E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36817 (((4-Fluoro-phenyl)-{2-[5-(3-methoxy-phenyl)-[1,3,4...) Show SMILES CCOC(=O)CN(C(=O)CSc1nnc(o1)-c1cccc(OC)c1)c1ccc(F)cc1 Show InChI InChI=1S/C21H20FN3O5S/c1-3-29-19(27)12-25(16-9-7-15(22)8-10-16)18(26)13-31-21-24-23-20(30-21)14-5-4-6-17(11-14)28-2/h4-11H,3,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36818 (MLS000068975 | N-[4-(5-Methyl-benzooxazol-2-yl)-ph...) Show SMILES Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)c2cccnc2)cc1 Show InChI InChI=1S/C20H15N3O2/c1-13-4-9-18-17(11-13)23-20(25-18)14-5-7-16(8-6-14)22-19(24)15-3-2-10-21-12-15/h2-12H,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36820 (3-Ethyl-2-[(Z)-ethylimino]-4-oxo-3,4-dihydro-2H-[1...) Show SMILES CC\N=c1/sc(cc(=O)n1CC)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C17H21N3O2S/c1-3-18-17-20(4-2)15(21)12-14(23-17)16(22)19-11-10-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,19,22)/b18-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36821 (1,3-benzodioxol-5-ylmethyl 4-(4-fluorophenyl)-6-me...) Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(F)cc1 |t:1| Show InChI InChI=1S/C20H17FN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,17-18H,9-10H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36822 (1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-[5-(1H...) Show SMILES O=C(CSc1nnc(o1)-c1c[nH]c2ccccc12)N1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C26H20N4O2S/c31-24(30-22-11-5-1-7-17(22)13-14-18-8-2-6-12-23(18)30)16-33-26-29-28-25(32-26)20-15-27-21-10-4-3-9-19(20)21/h1-12,15,27H,13-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.48E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36823 (2-Ethoxy-3-(5-furan-2-yl-[1,2,4]oxadiazol-3-yl)-6-...) Show SMILES CCOc1nc(ccc1-c1noc(n1)-c1ccco1)-c1ccccc1 Show InChI InChI=1S/C19H15N3O3/c1-2-23-18-14(10-11-15(20-18)13-7-4-3-5-8-13)17-21-19(25-22-17)16-9-6-12-24-16/h3-12H,2H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36824 (1-(4-Ethoxy-benzenesulfonyl)-5,6-dimethyl-1H-benzo...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)n1cnc2cc(C)c(C)cc12 Show InChI InChI=1S/C17H18N2O3S/c1-4-22-14-5-7-15(8-6-14)23(20,21)19-11-18-16-9-12(2)13(3)10-17(16)19/h5-11H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	8.29E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36825 ((6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-...) Show SMILES CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)cc1 Show InChI InChI=1S/C17H21N5O/c1-4-15-12(2)21-17-19-11-20-22(17)16(15)18-10-9-13-5-7-14(23-3)8-6-13/h5-8,11,18H,4,9-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36826 (2-(benzylthio)-5-(2-thienyl)-1,3,4-oxadiazole | 2-...) Show SMILES C(Sc1nnc(o1)-c1cccs1)c1ccccc1 Show InChI InChI=1S/C13H10N2OS2/c1-2-5-10(6-3-1)9-18-13-15-14-12(16-13)11-7-4-8-17-11/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36827 (5-Cyclopropyl-7-trifluoromethyl-4,5,6,7-tetrahydro...) Show SMILES FC(F)(F)C1CC(Nc2cc(nn12)C(=O)Nc1nc2CCCCc2s1)C1CC1 Show InChI InChI=1S/C18H20F3N5OS/c19-18(20,21)14-7-11(9-5-6-9)22-15-8-12(25-26(14)15)16(27)24-17-23-10-3-1-2-4-13(10)28-17/h8-9,11,14,22H,1-7H2,(H,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	908	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36828 (2-(2-furoylamino)-1,3-benzothiazole-6-carboxylic a...) Show SMILES CCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1 Show InChI InChI=1S/C15H12N2O4S/c1-2-20-14(19)9-5-6-10-12(8-9)22-15(16-10)17-13(18)11-4-3-7-21-11/h3-8H,2H2,1H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36829 (5-Phenyl-7-[4-(5-trifluoromethyl-pyridin-2-yl)-pip...) Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1cc(nc2ncnn12)-c1ccccc1 Show InChI InChI=1S/C21H18F3N7/c22-21(23,24)16-6-7-18(25-13-16)29-8-10-30(11-9-29)19-12-17(15-4-2-1-3-5-15)28-20-26-14-27-31(19)20/h1-7,12-14H,8-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.22E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36830 (2-[3-keto-6-[(2-methoxyphenyl)carbamoyl]-2,2-dimet...) Show SMILES CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(cc12)C(=O)Nc1ccccc1OC Show InChI InChI=1S/C22H24N2O6/c1-5-29-19(25)13-24-16-12-14(10-11-18(16)30-22(2,3)21(24)27)20(26)23-15-8-6-7-9-17(15)28-4/h6-12H,5,13H2,1-4H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM3256 (4-(Benzylamino)quinazoline deriv. 7 | N-benzylquin...) Show SMILES C(Nc1ncnc2ccccc12)c1ccccc1 Show InChI InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.27E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36832 (1H-[1,2,4]Triazole-3-carboxylic acid (3-chloro-4-p...) Show SMILES Clc1cc(NC(=O)c2nnc[nH]2)ccc1N1CCCCC1 Show InChI InChI=1S/C14H16ClN5O/c15-11-8-10(18-14(21)13-16-9-17-19-13)4-5-12(11)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7H2,(H,18,21)(H,16,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	879	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM31040 (1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.29E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36833 (2-(4-propoxyphenyl)-5-(4-pyridyl)-1,3,4-oxadiazole...) Show SMILES CCCOc1ccc(cc1)-c1nnc(o1)-c1ccncc1 Show InChI InChI=1S/C16H15N3O2/c1-2-11-20-14-5-3-12(4-6-14)15-18-19-16(21-15)13-7-9-17-10-8-13/h3-10H,2,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.65E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36834 (3-(dimethylamino)-1,2-diphenyl-1-propanone;hydroch...) Show SMILES CN(C)CC(C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H19NO/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36835 (2-(5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazol-2-yl...) Show SMILES Fc1ccc(CN(C(=O)CSc2nnc(Cn3nnc4ccccc34)o2)c2ccccc2)cc1 Show InChI InChI=1S/C24H19FN6O2S/c25-18-12-10-17(11-13-18)14-30(19-6-2-1-3-7-19)23(32)16-34-24-28-27-22(33-24)15-31-21-9-5-4-8-20(21)26-29-31/h1-13H,14-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.86E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36836 (MLS000070935 | N-(1,3-benzodioxol-5-yl)-2-[4-[4-(3...) Show SMILES COc1cccc(c1)-c1csc(n1)N1CCN(CC(=O)Nc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H24N4O4S/c1-29-18-4-2-3-16(11-18)19-14-32-23(25-19)27-9-7-26(8-10-27)13-22(28)24-17-5-6-20-21(12-17)31-15-30-20/h2-6,11-12,14H,7-10,13,15H2,1H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.79E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36837 (MLS000034491 | N-[3-Chloro-4-(4-isobutyryl-piperaz...) Show SMILES CC(C)C(=O)N1CCN(CC1)c1ccc(NC(=O)COc2ccccc2C)cc1Cl Show InChI InChI=1S/C23H28ClN3O3/c1-16(2)23(29)27-12-10-26(11-13-27)20-9-8-18(14-19(20)24)25-22(28)15-30-21-7-5-4-6-17(21)3/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36838 (1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benz...) Show SMILES C=CS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)C=C)cc1 Show InChI InChI=1S/C16H14O5S2/c1-3-22(17,18)15-9-5-13(6-10-15)21-14-7-11-16(12-8-14)23(19,20)4-2/h3-12H,1-2H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.31E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36839 (3-Methyl-benzofuran-2-carboxylic acid (3-methyl-4-...) Show SMILES Cc1c(oc2ccccc12)C(=O)Nc1ccc(c(C)c1)-n1cnnn1 Show InChI InChI=1S/C18H15N5O2/c1-11-9-13(7-8-15(11)23-10-19-21-22-23)20-18(24)17-12(2)14-5-3-4-6-16(14)25-17/h3-10H,1-2H3,(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.53E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36840 (2-(3,4-Diethoxy-phenyl)-5-furan-2-yl-[1,3,4]oxadia...) Show SMILES CCOc1ccc(cc1OCC)-c1nnc(o1)-c1ccco1 Show InChI InChI=1S/C16H16N2O4/c1-3-19-12-8-7-11(10-14(12)20-4-2)15-17-18-16(22-15)13-6-5-9-21-13/h5-10H,3-4H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36841 (5-(3,4-Diethoxy-phenyl)-3-(4-methoxy-phenyl)-[1,2,...) Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc(OC)cc1 Show InChI InChI=1S/C19H20N2O4/c1-4-23-16-11-8-14(12-17(16)24-5-2)19-20-18(21-25-19)13-6-9-15(22-3)10-7-13/h6-12H,4-5H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	732	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36842 (1-(3-Chloro-benzenesulfonyl)-3-[3-(3,4,5-trimethox...) Show SMILES COc1cc(cc(OC)c1OC)-c1noc(n1)C1CCCN(C1)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H24ClN3O6S/c1-29-18-10-15(11-19(30-2)20(18)31-3)21-24-22(32-25-21)14-6-5-9-26(13-14)33(27,28)17-8-4-7-16(23)12-17/h4,7-8,10-12,14H,5-6,9,13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36843 (9-Methoxy-2,2-dimethyl-2,6-dihydro-pyrano[3,2-c]qu...) Show SMILES COc1ccc2[nH]c(=O)c3C=CC(C)(C)Oc3c2c1 |c:10| Show InChI InChI=1S/C15H15NO3/c1-15(2)7-6-10-13(19-15)11-8-9(18-3)4-5-12(11)16-14(10)17/h4-8H,1-3H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.25E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36844 (1-(3-Fluoro-4-methoxy-phenyl)-3-morpholin-4-yl-2-p...) Show SMILES COc1ccc(cc1F)C(=O)C(CN1CCOCC1)c1ccccc1 Show InChI InChI=1S/C20H22FNO3/c1-24-19-8-7-16(13-18(19)21)20(23)17(15-5-3-2-4-6-15)14-22-9-11-25-12-10-22/h2-8,13,17H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.12E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36845 (5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic aci...) Show SMILES Cn1nc(cc1C(=O)NCc1ccc(cc1)N1CCCC1=O)C(C)(C)C Show InChI InChI=1S/C20H26N4O2/c1-20(2,3)17-12-16(23(4)22-17)19(26)21-13-14-7-9-15(10-8-14)24-11-5-6-18(24)25/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	4.46E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36847 (2-(3,4-Diethoxy-phenyl)-5-thiophen-2-yl-[1,3,4]oxa...) Show SMILES CCOc1ccc(cc1OCC)-c1nnc(o1)-c1cccs1 Show InChI InChI=1S/C16H16N2O3S/c1-3-19-12-8-7-11(10-13(12)20-4-2)15-17-18-16(21-15)14-6-5-9-22-14/h5-10H,3-4H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.58E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36848 (Cyclohexanecarboxylic acid ethyl-(5-pyridin-3-yl-[...) Show SMILES CCN(C(=O)C1CCCCC1)c1nnc(s1)-c1cccnc1 Show InChI InChI=1S/C16H20N4OS/c1-2-20(15(21)12-7-4-3-5-8-12)16-19-18-14(22-16)13-9-6-10-17-11-13/h6,9-12H,2-5,7-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM34204 (1-amyl-2-hydroxy-4-keto-N-(4-pyridylmethyl)quinoli...) Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NCc2ccncc2)c1=O Show InChI InChI=1S/C21H23N3O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-14-15-9-11-22-12-10-15/h4-5,7-12,25H,2-3,6,13-14H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36849 (4-(1-azepanyl)aniline;hydrochloride | 4-(azepan-1-...) Show SMILES Nc1ccc(cc1)N1CCCCCC1 Show InChI InChI=1S/C12H18N2/c13-11-5-7-12(8-6-11)14-9-3-1-2-4-10-14/h5-8H,1-4,9-10,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36850 (4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-pipe...) Show SMILES Fc1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C20H18ClFN4O2/c21-15-3-7-17(8-4-15)23-20(27)26-11-9-14(10-12-26)19-24-18(25-28-19)13-1-5-16(22)6-2-13/h1-8,14H,9-12H2,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36851 (MLS000072751 | N-(5-Benzotriazol-1-ylmethyl-[1,3,4...) Show SMILES CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1 Show InChI InChI=1S/C22H24N6OS/c1-5-27(20(29)15-10-12-16(13-11-15)22(2,3)4)21-25-24-19(30-21)14-28-18-9-7-6-8-17(18)23-26-28/h6-13H,5,14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM32663 (2,3-Dihydro-benzo[1,4]dioxine-6-sulfonic acid [1-(...) Show SMILES Cc1ccc(cc1)-c1csc(n1)N1CCC(CC1)NS(=O)(=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C23H25N3O4S2/c1-16-2-4-17(5-3-16)20-15-31-23(24-20)26-10-8-18(9-11-26)25-32(27,28)19-6-7-21-22(14-19)30-13-12-29-21/h2-7,14-15,18,25H,8-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36852 (MLS000073104 | N-(4-Benzo[1,3]dioxol-5-yl-thiazol-...) Show SMILES O=C(Nc1nc(cs1)-c1ccc2OCOc2c1)c1ccncc1 Show InChI InChI=1S/C16H11N3O3S/c20-15(10-3-5-17-6-4-10)19-16-18-12(8-23-16)11-1-2-13-14(7-11)22-9-21-13/h1-8H,9H2,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36853 (MLS000034488 | N-tert-Butyl-2-[3-(2-chloro-benzyl)...) Show SMILES CC(C)(C)NC(=O)CSc1ncnc2n(Cc3ccccc3Cl)nnc12 Show InChI InChI=1S/C17H19ClN6OS/c1-17(2,3)21-13(25)9-26-16-14-15(19-10-20-16)24(23-22-14)8-11-6-4-5-7-12(11)18/h4-7,10H,8-9H2,1-3H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36854 (MLS000074457 | N-(2,3-Dihydro-benzo[1,4]dioxin-6-y...) Show SMILES Cc1ccc2OCC(=O)N(CC(=O)Nc3ccc4OCCOc4c3)c2c1 Show InChI InChI=1S/C19H18N2O5/c1-12-2-4-15-14(8-12)21(19(23)11-26-15)10-18(22)20-13-3-5-16-17(9-13)25-7-6-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.50E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36855 ((5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl...) Show SMILES COc1ccc(CCNc2c(C)c(C)nc3ncnn23)cc1 Show InChI InChI=1S/C16H19N5O/c1-11-12(2)20-16-18-10-19-21(16)15(11)17-9-8-13-4-6-14(22-3)7-5-13/h4-7,10,17H,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36856 (5,6-Dimethyl-7-[4-(3-trifluoromethyl-phenyl)-piper...) Show SMILES Cc1nc2ncnn2c(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C18H19F3N6/c1-12-13(2)24-17-22-11-23-27(17)16(12)26-8-6-25(7-9-26)15-5-3-4-14(10-15)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36858 (1-[[(Z)-2-bromanyl-3-phenyl-prop-2-enylidene]amino...) Show SMILES Nc1nnnn1N=C\C(Br)=C\c1ccccc1 |w:6.6| Show InChI InChI=1S/C10H9BrN6/c11-9(6-8-4-2-1-3-5-8)7-13-17-10(12)14-15-16-17/h1-7H,(H2,12,14,16)/b9-6-,13-7?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36859 (1-(2,6-Dimethyl-piperidin-1-yl)-2-{4-[4-(4-fluoro-...) Show SMILES CC1CCCC(C)N1C(=O)CN1CCN(CC1)c1nc(cs1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H29FN4OS/c1-16-4-3-5-17(2)27(16)21(28)14-25-10-12-26(13-11-25)22-24-20(15-29-22)18-6-8-19(23)9-7-18/h6-9,15-17H,3-5,10-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36860 (5-Methyl-7-[4-((E)-3-phenyl-allyl)-piperazin-1-yl]...) Show SMILES Cc1cc(N2CCN(C\C=C\c3ccccc3)CC2)n2ncnc2n1 Show InChI InChI=1S/C19H22N6/c1-16-14-18(25-19(22-16)20-15-21-25)24-12-10-23(11-13-24)9-5-8-17-6-3-2-4-7-17/h2-8,14-15H,9-13H2,1H3/b8-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36861 (MLS000031618 | N-(4-fluorophenyl)-2-[[(2Z)-2-(3-in...) Show SMILES Fc1ccc(cc1)N(Cc1ccccc1)C(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C25H19FN4O2S/c26-18-10-12-19(13-11-18)30(15-17-6-2-1-3-7-17)23(31)16-33-25-29-28-24(32-25)21-14-27-22-9-5-4-8-20(21)22/h1-14,27H,15-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	837	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36862 (4-[4-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethy...) Show SMILES Cn1nc(CC(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2c1=O Show InChI InChI=1S/C26H31N5O4/c1-26(2,3)35-25(34)31-15-13-30(14-16-31)19-11-9-18(10-12-19)27-23(32)17-22-20-7-5-6-8-21(20)24(33)29(4)28-22/h5-12H,13-17H2,1-4H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36863 (4-(Cyclohexylmethyl-sulfamoyl)-N-thiazol-2-yl-benz...) Show SMILES O=C(Nc1nccs1)c1ccc(cc1)S(=O)(=O)NCC1CCCCC1 Show InChI InChI=1S/C17H21N3O3S2/c21-16(20-17-18-10-11-24-17)14-6-8-15(9-7-14)25(22,23)19-12-13-4-2-1-3-5-13/h6-11,13,19H,1-5,12H2,(H,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM3859 (1-Phenylbenzimidazole deriv. 76 | 6-methoxy-1-phen...) Show SMILES COc1ccc2ncn(-c3ccccc3)c2c1 Show InChI InChI=1S/C14H12N2O/c1-17-12-7-8-13-14(9-12)16(10-15-13)11-5-3-2-4-6-11/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.37E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair

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