Found 102 hits with Last Name = 'taghizadeh' and Initial = 'n' 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 3A4
(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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 activity in human liver microsomes using midazolam as a substrate by LC/MS analysis |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 activity in human liver microsomes using nifedipine as a substrate by LC/MS analysis |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 activity in human liver microsomes using testosterone as a substrate by LC/MS analysis |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50088527
(CHEMBL3527358)Show SMILES [H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](-[#6])-[#6])-[#6](-[#7])=O)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI InChI=1S/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t14-,15-,16-,17-,18-,21+,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 activity in human liver microsomes using midazolam as a substrate by LC/MS analysis |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50088527
(CHEMBL3527358)Show SMILES [H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](-[#6])-[#6])-[#6](-[#7])=O)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI InChI=1S/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t14-,15-,16-,17-,18-,21+,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 2.87E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 activity in human liver microsomes using testosterone as a substrate by LC/MS analysis |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50088527
(CHEMBL3527358)Show SMILES [H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](-[#6])-[#6])-[#6](-[#7])=O)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI InChI=1S/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t14-,15-,16-,17-,18-,21+,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 4.03E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 activity in human liver microsomes using nifedipine as a substrate by LC/MS analysis |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249294
((R)-2-amino-2-(4-(4-(5-phenylpentyloxy)phenyl)-1H-...)Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCCCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H30N3O5P/c1-23(24,17-31-32(27,28)29)22-25-16-21(26-22)19-11-13-20(14-12-19)30-15-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15,17,24H2,1H3,(H,25,26)(H2,27,28,29)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249114
((S)-2-amino-2-methyl-3-oxo-3-(4-(5-phenylpentyloxy...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C21H29N2O6P/c1-21(22,16-29-30(25,26)27)20(24)23-18-11-13-19(14-12-18)28-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-14H,3,6-7,10,15-16,22H2,1H3,(H,23,24)(H2,25,26,27)/t21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50249114
((S)-2-amino-2-methyl-3-oxo-3-(4-(5-phenylpentyloxy...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C21H29N2O6P/c1-21(22,16-29-30(25,26)27)20(24)23-18-11-13-19(14-12-18)28-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-14H,3,6-7,10,15-16,22H2,1H3,(H,23,24)(H2,25,26,27)/t21-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249259
((S)-2-amino-2-methyl-3-(4-(2-(2'-methylbiphenyl-4-...)Show SMILES Cc1ccccc1-c1ccc(CCOc2ccc(NC(=O)[C@@](C)(N)COP(O)(O)=O)cc2)cc1 |r| Show InChI InChI=1S/C25H29N2O6P/c1-18-5-3-4-6-23(18)20-9-7-19(8-10-20)15-16-32-22-13-11-21(12-14-22)27-24(28)25(2,26)17-33-34(29,30)31/h3-14H,15-17,26H2,1-2H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249260
((S)-2-amino-3-(4-(2-(2'-chlorobiphenyl-4-yl)ethoxy...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2Cl)cc1 |r| Show InChI InChI=1S/C24H26ClN2O6P/c1-24(26,16-33-34(29,30)31)23(28)27-19-10-12-20(13-11-19)32-15-14-17-6-8-18(9-7-17)21-4-2-3-5-22(21)25/h2-13H,14-16,26H2,1H3,(H,27,28)(H2,29,30,31)/t24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249263
((S)-2-amino-3-(4-(3-(biphenyl-4-yl)propoxy)phenyla...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H29N2O6P/c1-25(26,18-33-34(29,30)31)24(28)27-22-13-15-23(16-14-22)32-17-5-6-19-9-11-21(12-10-19)20-7-3-2-4-8-20/h2-4,7-16H,5-6,17-18,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249293
((R)-2-amino-2-(4-(4-(4-phenylbutoxy)phenyl)-1H-imi...)Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C22H28N3O5P/c1-22(23,16-30-31(26,27)28)21-24-15-20(25-21)18-10-12-19(13-11-18)29-14-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-13,15H,5-6,9,14,16,23H2,1H3,(H,24,25)(H2,26,27,28)/t22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249266
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)phenyl)-...)Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H26N3O5P/c1-25(26,17-33-34(29,30)31)24-27-15-23(28-24)21-11-13-22(14-12-21)32-16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-15H,16-17,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.03 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249240
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C24H27N2O6P/c1-24(25,17-32-33(28,29)30)23(27)26-21-11-13-22(14-12-21)31-16-15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-14H,15-17,25H2,1H3,(H,26,27)(H2,28,29,30)/t24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.05 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249153
((S)-2-amino-3-(4-(4-cyclohexylbutoxy)phenylamino)-...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCC2CCCCC2)cc1 |r| Show InChI InChI=1S/C20H33N2O6P/c1-20(21,15-28-29(24,25)26)19(23)22-17-10-12-18(13-11-17)27-14-6-5-9-16-7-3-2-4-8-16/h10-13,16H,2-9,14-15,21H2,1H3,(H,22,23)(H2,24,25,26)/t20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50249294
((R)-2-amino-2-(4-(4-(5-phenylpentyloxy)phenyl)-1H-...)Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCCCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H30N3O5P/c1-23(24,17-31-32(27,28)29)22-25-16-21(26-22)19-11-13-20(14-12-19)30-15-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15,17,24H2,1H3,(H,25,26)(H2,27,28,29)/t23-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.23 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249113
((S)-2-amino-2-methyl-3-oxo-3-(4-(4-phenylbutoxy)ph...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C20H27N2O6P/c1-20(21,15-28-29(24,25)26)19(23)22-17-10-12-18(13-11-17)27-14-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,10-13H,5-6,9,14-15,21H2,1H3,(H,22,23)(H2,24,25,26)/t20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249154
((S)-2-amino-3-(4-(biphenyl-4-ylmethoxy)phenylamino...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C23H25N2O6P/c1-23(24,16-31-32(27,28)29)22(26)25-20-11-13-21(14-12-20)30-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14H,15-16,24H2,1H3,(H,25,26)(H2,27,28,29)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50249114
((S)-2-amino-2-methyl-3-oxo-3-(4-(5-phenylpentyloxy...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C21H29N2O6P/c1-21(22,16-29-30(25,26)27)20(24)23-18-11-13-19(14-12-18)28-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-14H,3,6-7,10,15-16,22H2,1H3,(H,23,24)(H2,25,26,27)/t21-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50249294
((R)-2-amino-2-(4-(4-(5-phenylpentyloxy)phenyl)-1H-...)Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCCCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H30N3O5P/c1-23(24,17-31-32(27,28)29)22-25-16-21(26-22)19-11-13-20(14-12-19)30-15-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15,17,24H2,1H3,(H,25,26)(H2,27,28,29)/t23-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50249114
((S)-2-amino-2-methyl-3-oxo-3-(4-(5-phenylpentyloxy...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C21H29N2O6P/c1-21(22,16-29-30(25,26)27)20(24)23-18-11-13-19(14-12-18)28-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-14H,3,6-7,10,15-16,22H2,1H3,(H,23,24)(H2,25,26,27)/t21-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50249240
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C24H27N2O6P/c1-24(25,17-32-33(28,29)30)23(27)26-21-11-13-22(14-12-21)31-16-15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-14H,15-17,25H2,1H3,(H,26,27)(H2,28,29,30)/t24-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.17 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249151
((S)-2-amino-3-(4-(4-(4-methoxyphenyl)butoxy)phenyl...)Show SMILES COc1ccc(CCCCOc2ccc(NC(=O)[C@@](C)(N)COP(O)(O)=O)cc2)cc1 |r| Show InChI InChI=1S/C21H29N2O7P/c1-21(22,15-30-31(25,26)27)20(24)23-17-8-12-19(13-9-17)29-14-4-3-5-16-6-10-18(28-2)11-7-16/h6-13H,3-5,14-15,22H2,1-2H3,(H,23,24)(H2,25,26,27)/t21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50249266
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)phenyl)-...)Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H26N3O5P/c1-25(26,17-33-34(29,30)31)24-27-15-23(28-24)21-11-13-22(14-12-21)32-16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-15H,16-17,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50249263
((S)-2-amino-3-(4-(3-(biphenyl-4-yl)propoxy)phenyla...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H29N2O6P/c1-25(26,18-33-34(29,30)31)24(28)27-22-13-15-23(16-14-22)32-17-5-6-19-9-11-21(12-10-19)20-7-3-2-4-8-20/h2-4,7-16H,5-6,17-18,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.24 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50249294
((R)-2-amino-2-(4-(4-(5-phenylpentyloxy)phenyl)-1H-...)Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCCCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H30N3O5P/c1-23(24,17-31-32(27,28)29)22-25-16-21(26-22)19-11-13-20(14-12-19)30-15-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15,17,24H2,1H3,(H,25,26)(H2,27,28,29)/t23-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50249154
((S)-2-amino-3-(4-(biphenyl-4-ylmethoxy)phenylamino...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C23H25N2O6P/c1-23(24,16-31-32(27,28)29)22(26)25-20-11-13-21(14-12-20)30-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14H,15-16,24H2,1H3,(H,25,26)(H2,27,28,29)/t23-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.15 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249264
((S)-2-amino-3-(4-(4-(biphenyl-4-yl)butoxy)phenylam...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H31N2O6P/c1-26(27,19-34-35(30,31)32)25(29)28-23-14-16-24(17-15-23)33-18-6-5-7-20-10-12-22(13-11-20)21-8-3-2-4-9-21/h2-4,8-17H,5-7,18-19,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249265
((R)-2-amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)pheny...)Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H28N3O5P/c1-26(27,18-34-35(30,31)32)25-28-17-24(29-25)22-11-13-23(14-12-22)33-16-15-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-14,17H,15-16,18,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50249153
((S)-2-amino-3-(4-(4-cyclohexylbutoxy)phenylamino)-...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCC2CCCCC2)cc1 |r| Show InChI InChI=1S/C20H33N2O6P/c1-20(21,15-28-29(24,25)26)19(23)22-17-10-12-18(13-11-17)27-14-6-5-9-16-7-3-2-4-8-16/h10-13,16H,2-9,14-15,21H2,1H3,(H,22,23)(H2,24,25,26)/t20-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50249266
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)phenyl)-...)Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H26N3O5P/c1-25(26,17-33-34(29,30)31)24-27-15-23(28-24)21-11-13-22(14-12-21)32-16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-15H,16-17,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 activity in human liver microsomes assessed as dibenzo fluuorescene oxidation up to 40 uM |
Drug Metab Dispos 41: 814-26 (2013)
Article DOI: 10.1124/dmd.112.048355 BindingDB Entry DOI: 10.7270/Q2NC62XH |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50249264
((S)-2-amino-3-(4-(4-(biphenyl-4-yl)butoxy)phenylam...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H31N2O6P/c1-26(27,19-34-35(30,31)32)25(29)28-23-14-16-24(17-15-23)33-18-6-5-7-20-10-12-22(13-11-20)21-8-3-2-4-9-21/h2-4,8-17H,5-7,18-19,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50249113
((S)-2-amino-2-methyl-3-oxo-3-(4-(4-phenylbutoxy)ph...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C20H27N2O6P/c1-20(21,15-28-29(24,25)26)19(23)22-17-10-12-18(13-11-17)27-14-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,10-13H,5-6,9,14-15,21H2,1H3,(H,22,23)(H2,24,25,26)/t20-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50249293
((R)-2-amino-2-(4-(4-(4-phenylbutoxy)phenyl)-1H-imi...)Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C22H28N3O5P/c1-22(23,16-30-31(26,27)28)21-24-15-20(25-21)18-10-12-19(13-11-18)29-14-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-13,15H,5-6,9,14,16,23H2,1H3,(H,24,25)(H2,26,27,28)/t22-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 11.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249261
((S)-2-amino-3-(4-(2-(2'-cyanobiphenyl-4-yl)ethoxy)...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2C#N)cc1 |r| Show InChI InChI=1S/C25H26N3O6P/c1-25(27,17-34-35(30,31)32)24(29)28-21-10-12-22(13-11-21)33-15-14-18-6-8-19(9-7-18)23-5-3-2-4-20(23)16-26/h2-13H,14-15,17,27H2,1H3,(H,28,29)(H2,30,31,32)/t25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50249293
((R)-2-amino-2-(4-(4-(4-phenylbutoxy)phenyl)-1H-imi...)Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C22H28N3O5P/c1-22(23,16-30-31(26,27)28)21-24-15-20(25-21)18-10-12-19(13-11-18)29-14-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-13,15H,5-6,9,14,16,23H2,1H3,(H,24,25)(H2,26,27,28)/t22-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 12.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50249266
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)phenyl)-...)Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H26N3O5P/c1-25(26,17-33-34(29,30)31)24-27-15-23(28-24)21-11-13-22(14-12-21)32-16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-15H,16-17,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50249293
((R)-2-amino-2-(4-(4-(4-phenylbutoxy)phenyl)-1H-imi...)Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C22H28N3O5P/c1-22(23,16-30-31(26,27)28)21-24-15-20(25-21)18-10-12-19(13-11-18)29-14-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-13,15H,5-6,9,14,16,23H2,1H3,(H,24,25)(H2,26,27,28)/t22-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249112
((S)-2-amino-2-methyl-3-oxo-3-(4-(4-(thiophen-2-yl)...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2cccs2)cc1 |r| Show InChI InChI=1S/C22H25N2O6PS/c1-22(23,15-30-31(26,27)28)21(25)24-18-8-10-19(11-9-18)29-13-12-16-4-6-17(7-5-16)20-3-2-14-32-20/h2-11,14H,12-13,15,23H2,1H3,(H,24,25)(H2,26,27,28)/t22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50249154
((S)-2-amino-3-(4-(biphenyl-4-ylmethoxy)phenylamino...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C23H25N2O6P/c1-23(24,16-31-32(27,28)29)22(26)25-20-11-13-21(14-12-20)30-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14H,15-16,24H2,1H3,(H,25,26)(H2,27,28,29)/t23-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 21.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50249264
((S)-2-amino-3-(4-(4-(biphenyl-4-yl)butoxy)phenylam...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H31N2O6P/c1-26(27,19-34-35(30,31)32)25(29)28-23-14-16-24(17-15-23)33-18-6-5-7-20-10-12-22(13-11-20)21-8-3-2-4-9-21/h2-4,8-17H,5-7,18-19,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 24.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50249153
((S)-2-amino-3-(4-(4-cyclohexylbutoxy)phenylamino)-...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCC2CCCCC2)cc1 |r| Show InChI InChI=1S/C20H33N2O6P/c1-20(21,15-28-29(24,25)26)19(23)22-17-10-12-18(13-11-17)27-14-6-5-9-16-7-3-2-4-8-16/h10-13,16H,2-9,14-15,21H2,1H3,(H,22,23)(H2,24,25,26)/t20-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 26.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50249265
((R)-2-amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)pheny...)Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H28N3O5P/c1-26(27,18-34-35(30,31)32)25-28-17-24(29-25)22-11-13-23(14-12-22)33-16-15-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-14,17H,15-16,18,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 26.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50249263
((S)-2-amino-3-(4-(3-(biphenyl-4-yl)propoxy)phenyla...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCc2ccc(cc2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H29N2O6P/c1-25(26,18-33-34(29,30)31)24(28)27-22-13-15-23(16-14-22)32-17-5-6-19-9-11-21(12-10-19)20-7-3-2-4-8-20/h2-4,7-16H,5-6,17-18,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 27.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50249152
((S)-2-amino-2-methyl-3-oxo-3-(4-(4-(thiophen-2-yl)...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCc2cccs2)cc1 |r| Show InChI InChI=1S/C18H25N2O6PS/c1-18(19,13-26-27(22,23)24)17(21)20-14-7-9-15(10-8-14)25-11-3-2-5-16-6-4-12-28-16/h4,6-10,12H,2-3,5,11,13,19H2,1H3,(H,20,21)(H2,22,23,24)/t18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50249153
((S)-2-amino-3-(4-(4-cyclohexylbutoxy)phenylamino)-...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCC2CCCCC2)cc1 |r| Show InChI InChI=1S/C20H33N2O6P/c1-20(21,15-28-29(24,25)26)19(23)22-17-10-12-18(13-11-17)27-14-6-5-9-16-7-3-2-4-8-16/h10-13,16H,2-9,14-15,21H2,1H3,(H,22,23)(H2,24,25,26)/t20-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 31.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50249113
((S)-2-amino-2-methyl-3-oxo-3-(4-(4-phenylbutoxy)ph...)Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C20H27N2O6P/c1-20(21,15-28-29(24,25)26)19(23)22-17-10-12-18(13-11-17)27-14-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,10-13H,5-6,9,14-15,21H2,1H3,(H,22,23)(H2,24,25,26)/t20-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 43.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50249259
((S)-2-amino-2-methyl-3-(4-(2-(2'-methylbiphenyl-4-...)Show SMILES Cc1ccccc1-c1ccc(CCOc2ccc(NC(=O)[C@@](C)(N)COP(O)(O)=O)cc2)cc1 |r| Show InChI InChI=1S/C25H29N2O6P/c1-18-5-3-4-6-23(18)20-9-7-19(8-10-20)15-16-32-22-13-11-21(12-14-22)27-24(28)25(2,26)17-33-34(29,30)31/h3-14H,15-17,26H2,1-2H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor |
Bioorg Med Chem Lett 19: 2315-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ |
More data for this Ligand-Target Pair | |