Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'zollinger' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 4F2 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human CYP4F2 in human liver microsomes assessed as fingolimod metabolism				Drug Metab Dispos 39: 191-8 (2011) Article DOI: 10.1124/dmd.110.035378 BindingDB Entry DOI: 10.7270/Q28917MJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50030448 (8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | CHEMBL269732 ...) Show SMILES CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |r,t:45| Show InChI InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research and Novartis Pharma Development Curated by ChEMBL					Assay Description Inhibitory activity against macrophilin (FKBP-12)				J Med Chem 47: 4950-7 (2004) Article DOI: 10.1021/jm031101l BindingDB Entry DOI: 10.7270/Q21N81WK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50153090 (CHEMBL411735 | Macrolide derivative) Show SMILES COC1C[C@H](CC(C)[C@H]2OC(=O)C3CCCCN3C(=O)C(=O)[C@]3(O)CC([C@H](C[C@H]3C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)OC)CC[C@H]1CC(=O)Nc1ccc(CCCC(=O)OC)cc1 |t:40| Show InChI InChI=1S/C58H88N2O13/c1-11-15-42-27-35(2)26-36(3)28-50(70-8)45-34-58(68,38(5)30-51(45)71-9)55(65)56(66)60-25-13-12-17-46(60)57(67)73-54(39(6)47(61)33-48(42)62)37(4)29-41-19-22-43(49(31-41)69-7)32-52(63)59-44-23-20-40(21-24-44)16-14-18-53(64)72-10/h11,20-21,23-24,27,36-39,41-43,45-47,49-51,54,61,68H,1,12-19,22,25-26,28-34H2,2-10H3,(H,59,63)/b35-27+/t36-,37?,38+,39+,41-,42+,43-,45?,46?,47-,49?,50-,51-,54+,58-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research and Novartis Pharma Development Curated by ChEMBL					Assay Description Inhibitory activity against macrophilin (FKBP-12)				J Med Chem 47: 4950-7 (2004) Article DOI: 10.1021/jm031101l BindingDB Entry DOI: 10.7270/Q21N81WK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50153091 (CHEMBL265123 | Macrolide derivative) Show SMILES COC1C[C@H](CC(C)[C@H]2OC(=O)C3CCCCN3C(=O)C(=O)[C@]3(O)CC([C@H](C[C@H]3C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)OC)CC[C@H]1CC(=O)Nc1ccc(CCCC(O)=O)cc1 |t:40| Show InChI InChI=1S/C57H86N2O13/c1-10-14-41-26-34(2)25-35(3)27-49(70-8)44-33-57(68,37(5)29-50(44)71-9)54(65)55(66)59-24-12-11-16-45(59)56(67)72-53(38(6)46(60)32-47(41)61)36(4)28-40-18-21-42(48(30-40)69-7)31-51(62)58-43-22-19-39(20-23-43)15-13-17-52(63)64/h10,19-20,22-23,26,35-38,40-42,44-46,48-50,53,60,68H,1,11-18,21,24-25,27-33H2,2-9H3,(H,58,62)(H,63,64)/b34-26+/t35-,36?,37+,38+,40-,41+,42-,44?,45?,46-,48?,49-,50-,53+,57-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research and Novartis Pharma Development Curated by ChEMBL					Assay Description Inhibitory activity against macrophilin (FKBP-12)				J Med Chem 47: 4950-7 (2004) Article DOI: 10.1021/jm031101l BindingDB Entry DOI: 10.7270/Q21N81WK
					More data for this Ligand-Target Pair
Cytochrome P450 4F2 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP4F2 assessed as fingolimod metabolism				Drug Metab Dispos 39: 191-8 (2011) Article DOI: 10.1124/dmd.110.035378 BindingDB Entry DOI: 10.7270/Q28917MJ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50158336 (2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 Show InChI InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-2 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50158336 (2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 Show InChI InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-4 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM23163 (CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-2 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50158336 (2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 Show InChI InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-3 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM23164 (CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	29	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-3 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM23165 (CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.10	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-3 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM23164 (CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-5 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM23165 (CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-2 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM23163 (CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-3 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM23164 (CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-2 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM23165 (CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-4 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM23163 (CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-4 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM23163 (CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.90	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-5 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM23164 (CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	80	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-4 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM23164 (CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50158336 (2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 Show InChI InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM23165 (CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-5 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50158336 (2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 Show InChI InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-5 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM23165 (CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM23163 (CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	7.4	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand				J Med Chem 48: 5373-7 (2005) Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R
					More data for this Ligand-Target Pair				3D Structure (crystal)