Found 197 hits with Last Name = 'mizuno' and Initial = 'y' 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)) | BDBM50208895
(CHEMBL397081 | sodium 4-[(4-butoxyphenyl)thio]-20-...)Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCCCO)cc1 |w:26.28| Show InChI InChI=1S/C33H40O7S2/c1-2-3-24-40-27-16-18-28(19-17-27)41-32-20-15-26(25-33(32)42(36,37)38)29-12-7-8-13-30(29)31(35)14-11-23-39-22-10-6-4-5-9-21-34/h7-8,12-13,15-20,25,31,34-35H,2-6,9-10,21-24H2,1H3,(H,36,37,38)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135494
(4-(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonyla...)Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(c1)S(C)(=O)=O Show InChI InChI=1S/C18H16FNO6S3/c1-10-13-9-12(19)5-7-15(13)27-18(10)29(24,25)20-14-6-4-11(17(21)26-2)8-16(14)28(3,22)23/h4-9,20H,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208889
(sodium 4-[(4-butoxyphenyl)thio]-20-(1,12-dihydroxy...)Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCCCCCCCCCCO)cc1 |w:26.28| Show InChI InChI=1S/C35H44O6S2/c1-2-3-26-41-29-20-22-30(23-21-29)42-34-24-19-28(27-35(34)43(38,39)40)31-16-13-14-17-32(31)33(37)18-12-10-8-6-4-5-7-9-11-15-25-36/h13-14,16-17,19-24,27,33,36-37H,2-11,15,25-26H2,1H3,(H,38,39,40)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135493
(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)Show SMILES CC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(c1)S(C)(=O)=O Show InChI InChI=1S/C18H16FNO5S3/c1-10-14-9-13(19)5-7-16(14)26-18(10)28(24,25)20-15-6-4-12(11(2)21)8-17(15)27(3,22)23/h4-9,20H,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208901
(CHEMBL239876 | sodium 4-[(4-butoxyphenyl)thio]-20-...)Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCCCCCO)cc1 |w:26.28| Show InChI InChI=1S/C35H44O7S2/c1-2-3-26-42-29-18-20-30(21-19-29)43-34-22-17-28(27-35(34)44(38,39)40)31-14-9-10-15-32(31)33(37)16-13-25-41-24-12-8-6-4-5-7-11-23-36/h9-10,14-15,17-22,27,33,36-37H,2-8,11-12,23-26H2,1H3,(H,38,39,40)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208900
(CHEMBL396365 | sodium 4-[(4-butoxyphenyl)thio]-20-...)Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCCCCCCCO)cc1 |w:26.28| Show InChI InChI=1S/C37H48O7S2/c1-2-3-28-44-31-20-22-32(23-21-31)45-36-24-19-30(29-37(36)46(40,41)42)33-16-11-12-17-34(33)35(39)18-15-27-43-26-14-10-8-6-4-5-7-9-13-25-38/h11-12,16-17,19-24,29,35,38-39H,2-10,13-14,25-28H2,1H3,(H,40,41,42)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135496
(CHEMBL130156 | [4-(5-Fluoro-3-methyl-benzo[b]thiop...)Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)Nc1ccc(cc1S(C)(=O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C19H17FN2O7S3/c1-10-13-8-12(20)4-6-15(13)30-19(10)32(28,29)22-14-5-3-11(7-16(14)31(2,26)27)18(25)21-9-17(23)24/h3-8,22H,9H2,1-2H3,(H,21,25)(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135499
(2-[4-(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfon...)Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)Nc1ccc(cc1S(C)(=O)=O)C(=O)NC(CO)C(O)=O Show InChI InChI=1S/C20H19FN2O8S3/c1-10-13-8-12(21)4-6-16(13)32-20(10)34(30,31)23-14-5-3-11(7-17(14)33(2,28)29)18(25)22-15(9-24)19(26)27/h3-8,15,23-24H,9H2,1-2H3,(H,22,25)(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 159 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208884
(CHEMBL241104 | sodium 20-(1-hydroxytridec-2-yn-1-y...)Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C34H42O5S2/c1-3-5-6-7-8-9-10-11-12-13-18-32(35)31-17-15-14-16-30(31)27-19-24-33(34(26-27)41(36,37)38)40-29-22-20-28(21-23-29)39-25-4-2/h14-17,19-24,26,32,35H,3-12,25H2,1-2H3,(H,36,37,38)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208887
(CHEMBL239659 | sodium 4-[(4-butoxyphenyl)thio]-20-...)Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C35H44O5S2/c1-3-5-7-8-9-10-11-12-13-14-19-33(36)32-18-16-15-17-31(32)28-20-25-34(35(27-28)42(37,38)39)41-30-23-21-29(22-24-30)40-26-6-4-2/h15-18,20-25,27,33,36H,3-13,26H2,1-2H3,(H,37,38,39)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135509
(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)Show SMILES COCc1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(c1)S(C)(=O)=O Show InChI InChI=1S/C18H18FNO5S3/c1-11-14-9-13(19)5-7-16(14)26-18(11)28(23,24)20-15-6-4-12(10-25-2)8-17(15)27(3,21)22/h4-9,20H,10H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 192 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135495
(4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonyla...)Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c(c1)S(C)(=O)=O Show InChI InChI=1S/C18H16ClNO6S3/c1-10-13-9-12(19)5-7-15(13)27-18(10)29(24,25)20-14-6-4-11(17(21)26-2)8-16(14)28(3,22)23/h4-9,20H,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 203 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135502
(3-Methanesulfonyl-4-(3-methyl-benzo[b]thiophene-2-...)Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccccc3c2C)c(c1)S(C)(=O)=O Show InChI InChI=1S/C18H17NO6S3/c1-11-13-6-4-5-7-15(13)26-18(11)28(23,24)19-14-9-8-12(17(20)25-2)10-16(14)27(3,21)22/h4-10,19H,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 305 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135497
(4-(3,5-Dimethyl-benzo[b]thiophene-2-sulfonylamino)...)Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(C)cc3c2C)c(c1)S(C)(=O)=O Show InChI InChI=1S/C19H19NO6S3/c1-11-5-8-16-14(9-11)12(2)19(27-16)29(24,25)20-15-7-6-13(18(21)26-3)10-17(15)28(4,22)23/h5-10,20H,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 325 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135506
(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)Nc1ccc(CO)cc1S(C)(=O)=O Show InChI InChI=1S/C17H16FNO5S3/c1-10-13-8-12(18)4-6-15(13)25-17(10)27(23,24)19-14-5-3-11(9-20)7-16(14)26(2,21)22/h3-8,19-20H,9H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 337 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208896
(CHEMBL397080 | sodium 4-[(4-butoxyphenyl)thio]-20-...)Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCO)cc1 |w:26.28| Show InChI InChI=1S/C31H36O7S2/c1-2-3-22-38-25-14-16-26(17-15-25)39-30-18-13-24(23-31(30)40(34,35)36)27-10-5-6-11-28(27)29(33)12-9-21-37-20-8-4-7-19-32/h5-6,10-11,13-18,23,29,32-33H,2-4,7-8,19-22H2,1H3,(H,34,35,36)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208897
(CHEMBL239874 | sodium 4-[(4-butoxyphenyl)thio]-20-...)Show SMILES CCCCCCCCCCC#CC(N)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C35H45NO4S2/c1-3-5-7-8-9-10-11-12-13-14-19-33(36)32-18-16-15-17-31(32)28-20-25-34(35(27-28)42(37,38)39)41-30-23-21-29(22-24-30)40-26-6-4-2/h15-18,20-25,27,33H,3-13,26,36H2,1-2H3,(H,37,38,39)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208888
(CHEMBL239867 | sodium 4-(4-ethoxyphenoxy)-20-(1-hy...)Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Oc2ccc(OCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C33H40O6S/c1-3-5-6-7-8-9-10-11-12-13-18-31(34)30-17-15-14-16-29(30)26-19-24-32(33(25-26)40(35,36)37)39-28-22-20-27(21-23-28)38-4-2/h14-17,19-25,31,34H,3-12H2,1-2H3,(H,35,36,37)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208886
(CHEMBL239653 | sodium 4-[(4-ethoxyphenyl)thio]-20-...)Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C33H40O5S2/c1-3-5-6-7-8-9-10-11-12-13-18-31(34)30-17-15-14-16-29(30)26-19-24-32(33(25-26)40(35,36)37)39-28-22-20-27(21-23-28)38-4-2/h14-17,19-25,31,34H,3-12H2,1-2H3,(H,35,36,37)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208895
(CHEMBL397081 | sodium 4-[(4-butoxyphenyl)thio]-20-...)Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCCCO)cc1 |w:26.28| Show InChI InChI=1S/C33H40O7S2/c1-2-3-24-40-27-16-18-28(19-17-27)41-32-20-15-26(25-33(32)42(36,37)38)29-12-7-8-13-30(29)31(35)14-11-23-39-22-10-6-4-5-9-21-34/h7-8,12-13,15-20,25,31,34-35H,2-6,9-10,21-24H2,1H3,(H,36,37,38)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208894
(CHEMBL277377 | sodium 4-[(4-hexyloxyphenyl)thio]-2...)Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C37H48O5S2/c1-3-5-7-9-10-11-12-13-14-15-21-35(38)34-20-17-16-19-33(34)30-22-27-36(37(29-30)44(39,40)41)43-32-25-23-31(24-26-32)42-28-18-8-6-4-2/h16-17,19-20,22-27,29,35,38H,3-14,18,28H2,1-2H3,(H,39,40,41)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135501
(4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonyla...)Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c(c1C)S(C)(=O)=O Show InChI InChI=1S/C19H18ClNO6S3/c1-10-13(18(22)27-3)6-7-15(17(10)29(4,23)24)21-30(25,26)19-11(2)14-9-12(20)5-8-16(14)28-19/h5-9,21H,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 594 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135505
(4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonyla...)Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c(OC)c1 Show InChI InChI=1S/C18H16ClNO5S2/c1-10-13-9-12(19)5-7-16(13)26-18(10)27(22,23)20-14-6-4-11(17(21)25-3)8-15(14)24-2/h4-9,20H,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 663 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208882
(CHEMBL240079 | sodium 20-(1-hydroxytridec-2-yn-1-y...)Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C32H38O5S2/c1-3-4-5-6-7-8-9-10-11-12-17-30(33)29-16-14-13-15-28(29)25-18-23-31(32(24-25)39(34,35)36)38-27-21-19-26(37-2)20-22-27/h13-16,18-24,30,33H,3-11H2,1-2H3,(H,34,35,36)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135507
(4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonyla...)Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C17H13ClN2O6S2/c1-9-12-8-11(18)4-6-15(12)27-17(9)28(24,25)19-13-5-3-10(16(21)26-2)7-14(13)20(22)23/h3-8,19H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Chymotrypsin-C
(Homo sapiens (Human)) | BDBM50135494
(4-(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonyla...)Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(c1)S(C)(=O)=O Show InChI InChI=1S/C18H16FNO6S3/c1-10-13-9-12(19)5-7-15(13)27-18(10)29(24,25)20-14-6-4-11(17(21)26-2)8-16(14)28(3,22)23/h4-9,20H,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity of the compound against bovin chymotrypsin |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135508
(4-(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonyla...)Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)Nc1ccc(cc1S(C)(=O)=O)C(O)=O Show InChI InChI=1S/C17H14FNO6S3/c1-9-12-8-11(18)4-6-14(12)26-17(9)28(24,25)19-13-5-3-10(16(20)21)7-15(13)27(2,22)23/h3-8,19H,1-2H3,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Cathepsin G
(Homo sapiens (Human)) | BDBM50135495
(4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonyla...)Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c(c1)S(C)(=O)=O Show InChI InChI=1S/C18H16ClNO6S3/c1-10-13-9-12(19)5-7-15(13)27-18(10)29(24,25)20-14-6-4-11(17(21)26-2)8-16(14)28(3,22)23/h4-9,20H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity of the compound against human cathepsin G |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135503
(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)Nc1ccc(C=O)cc1S(C)(=O)=O Show InChI InChI=1S/C17H14FNO5S3/c1-10-13-8-12(18)4-6-15(13)25-17(10)27(23,24)19-14-5-3-11(9-20)7-16(14)26(2,21)22/h3-9,19H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Cathepsin G
(Homo sapiens (Human)) | BDBM50135493
(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)Show SMILES CC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(c1)S(C)(=O)=O Show InChI InChI=1S/C18H16FNO5S3/c1-10-14-9-13(19)5-7-16(14)26-18(10)28(24,25)20-15-6-4-12(11(2)21)8-17(15)27(3,22)23/h4-9,20H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity of the compound against human cathepsin G |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Cathepsin G
(Homo sapiens (Human)) | BDBM50135494
(4-(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonyla...)Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(c1)S(C)(=O)=O Show InChI InChI=1S/C18H16FNO6S3/c1-10-13-9-12(19)5-7-15(13)27-18(10)29(24,25)20-14-6-4-11(17(21)26-2)8-16(14)28(3,22)23/h4-9,20H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity of the compound against human cathepsin G |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Chymotrypsin-C
(Homo sapiens (Human)) | BDBM50135493
(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)Show SMILES CC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(c1)S(C)(=O)=O Show InChI InChI=1S/C18H16FNO5S3/c1-10-14-9-13(19)5-7-16(14)26-18(10)28(24,25)20-15-6-4-12(11(2)21)8-17(15)27(3,22)23/h4-9,20H,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity of the compound against bovin chymotrypsin |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Chymotrypsin-C
(Homo sapiens (Human)) | BDBM50135495
(4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonyla...)Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c(c1)S(C)(=O)=O Show InChI InChI=1S/C18H16ClNO6S3/c1-10-13-9-12(19)5-7-15(13)27-18(10)29(24,25)20-14-6-4-11(17(21)26-2)8-16(14)28(3,22)23/h4-9,20H,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity of the compound against bovin chymotrypsin |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208893
(CHEMBL396847 | sodium 4-(4-ethoxyphenoxy)-20-(1-hy...)Show SMILES CCCCCCCCCCC#CC(C)(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C36H46O5S2/c1-4-6-8-9-10-11-12-13-14-17-26-36(3,37)33-19-16-15-18-32(33)29-20-25-34(35(28-29)43(38,39)40)42-31-23-21-30(22-24-31)41-27-7-5-2/h15-16,18-25,28,37H,4-14,27H2,1-3H3,(H,38,39,40)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135498
(4-(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonyla...)Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)Nc1ccc(cc1S(C)(=O)=O)C(N)=O Show InChI InChI=1S/C17H15FN2O5S3/c1-9-12-8-11(18)4-6-14(12)26-17(9)28(24,25)20-13-5-3-10(16(19)21)7-15(13)27(2,22)23/h3-8,20H,1-2H3,(H2,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208887
(CHEMBL239659 | sodium 4-[(4-butoxyphenyl)thio]-20-...)Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C35H44O5S2/c1-3-5-7-8-9-10-11-12-13-14-19-33(36)32-18-16-15-17-31(32)28-20-25-34(35(27-28)42(37,38)39)41-30-23-21-29(22-24-30)40-26-6-4-2/h15-18,20-25,27,33,36H,3-13,26H2,1-2H3,(H,37,38,39)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208883
(CHEMBL429810 | sodium 2-(4-ethoxyphenoxy)-5-[3-(1-...)Show SMILES CCCCCCCCCCC#CC(O)c1sccc1-c1ccc(Oc2ccc(OCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C31H38O6S2/c1-3-5-6-7-8-9-10-11-12-13-14-28(32)31-27(21-22-38-31)24-15-20-29(30(23-24)39(33,34)35)37-26-18-16-25(17-19-26)36-4-2/h15-23,28,32H,3-12H2,1-2H3,(H,33,34,35)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135504
(4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonyla...)Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1 Show InChI InChI=1S/C17H14ClNO4S2/c1-10-14-9-12(18)5-8-15(14)24-17(10)25(21,22)19-13-6-3-11(4-7-13)16(20)23-2/h3-9,19H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208903
(CHEMBL239873 | sodium 4-[(4-octyloxyphenyl)thio]-2...)Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCCCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C39H52O5S2/c1-3-5-7-9-11-12-13-14-15-17-23-37(40)36-22-19-18-21-35(36)32-24-29-38(39(31-32)46(41,42)43)45-34-27-25-33(26-28-34)44-30-20-16-10-8-6-4-2/h18-19,21-22,24-29,31,37,40H,3-16,20,30H2,1-2H3,(H,41,42,43)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50135500
(4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonyla...)Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1C(=O)OC Show InChI InChI=1S/C19H16ClNO6S2/c1-10-14-8-11(20)4-7-16(14)28-19(10)29(24,25)21-12-5-6-13(17(22)26-2)15(9-12)18(23)27-3/h4-9,21H,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 4.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208899
(CHEMBL239650 | sodium 4-(4-ethoxyphenoxy)-30-(1-hy...)Show SMILES CCCCCCCCCCC#CC(O)c1cccc(c1)-c1ccc(Oc2ccc(OCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C33H40O6S/c1-3-5-6-7-8-9-10-11-12-13-17-31(34)28-16-14-15-26(24-28)27-18-23-32(33(25-27)40(35,36)37)39-30-21-19-29(20-22-30)38-4-2/h14-16,18-25,31,34H,3-12H2,1-2H3,(H,35,36,37)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50208895
(CHEMBL397081 | sodium 4-[(4-butoxyphenyl)thio]-20-...)Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCCCO)cc1 |w:26.28| Show InChI InChI=1S/C33H40O7S2/c1-2-3-24-40-27-16-18-28(19-17-27)41-32-20-15-26(25-33(32)42(36,37)38)29-12-7-8-13-30(29)31(35)14-11-23-39-22-10-6-4-5-9-21-34/h7-8,12-13,15-20,25,31,34-35H,2-6,9-10,21-24H2,1H3,(H,36,37,38)/p-1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P3 receptor expressed in CHO cell membrane by FLIPR assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208891
(CHEMBL240078 | sodium 2-(4-ethoxyphenoxy)-5-[5-(1-...)Show SMILES CCCCCCCCCCC#CC(O)c1ccc(s1)-c1ccc(Oc2ccc(OCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C31H38O6S2/c1-3-5-6-7-8-9-10-11-12-13-14-27(32)30-22-21-29(38-30)24-15-20-28(31(23-24)39(33,34)35)37-26-18-16-25(17-19-26)36-4-2/h15-23,27,32H,3-12H2,1-2H3,(H,33,34,35)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Lysophosphatidic acid receptor 2
(Homo sapiens (Human)) | BDBM50208895
(CHEMBL397081 | sodium 4-[(4-butoxyphenyl)thio]-20-...)Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCCCO)cc1 |w:26.28| Show InChI InChI=1S/C33H40O7S2/c1-2-3-24-40-27-16-18-28(19-17-27)41-32-20-15-26(25-33(32)42(36,37)38)29-12-7-8-13-30(29)31(35)14-11-23-39-22-10-6-4-5-9-21-34/h7-8,12-13,15-20,25,31,34-35H,2-6,9-10,21-24H2,1H3,(H,36,37,38)/p-1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P4 receptor expressed in CHO cell membrane by FLIPR assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208892
(20-(1-aminotridec-2-yn-1-yl)-4-[(4-butoxyphenyl)th...)Show SMILES CCCCCCCCCCC#CCc1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O Show InChI InChI=1S/C35H44O4S2/c1-3-5-7-8-9-10-11-12-13-14-15-18-29-19-16-17-20-33(29)30-21-26-34(35(28-30)41(36,37)38)40-32-24-22-31(23-25-32)39-27-6-4-2/h16-17,19-26,28H,3-13,18,27H2,1-2H3,(H,36,37,38)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208898
(CHEMBL399392 | sodium 4-(2-ethoxyphenoxy)-20-(1-hy...)Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Oc2ccccc2OCC)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C33H40O6S/c1-3-5-6-7-8-9-10-11-12-13-20-29(34)28-19-15-14-18-27(28)26-23-24-32(33(25-26)40(35,36)37)39-31-22-17-16-21-30(31)38-4-2/h14-19,21-25,29,34H,3-12H2,1-2H3,(H,35,36,37)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50121657
(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)Show SMILES CCCS(=O)(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1 Show InChI InChI=1S/C18H18ClNO4S3/c1-3-10-26(21,22)15-7-5-14(6-8-15)20-27(23,24)18-12(2)16-11-13(19)4-9-17(16)25-18/h4-9,11,20H,3,10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| n/a | n/a | 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Toa Eiyo Ltd.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human chymase |
Bioorg Med Chem Lett 13: 4085-8 (2003)
BindingDB Entry DOI: 10.7270/Q2QN665P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50208895
(CHEMBL397081 | sodium 4-[(4-butoxyphenyl)thio]-20-...)Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCCCO)cc1 |w:26.28| Show InChI InChI=1S/C33H40O7S2/c1-2-3-24-40-27-16-18-28(19-17-27)41-32-20-15-26(25-33(32)42(36,37)38)29-12-7-8-13-30(29)31(35)14-11-23-39-22-10-6-4-5-9-21-34/h7-8,12-13,15-20,25,31,34-35H,2-6,9-10,21-24H2,1H3,(H,36,37,38)/p-1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cell membrane by FLIPR assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50208887
(CHEMBL239659 | sodium 4-[(4-butoxyphenyl)thio]-20-...)Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C35H44O5S2/c1-3-5-7-8-9-10-11-12-13-14-19-33(36)32-18-16-15-17-31(32)28-20-25-34(35(27-28)42(37,38)39)41-30-23-21-29(22-24-30)40-26-6-4-2/h15-18,20-25,27,33,36H,3-13,26H2,1-2H3,(H,37,38,39)/p-1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P3 receptor expressed in CHO cell membrane by FLIPR assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50208902
(2-(4-ethoxyphenoxy)-5-(3-octadecyl-5-oxo-4,5-dihyd...)Show SMILES CCCCCCCCCCCCCCCCCc1cc(=O)n([nH]1)-c1ccc(Oc2ccc(OCC)cc2)c(c1)S([O-])(=O)=O Show InChI InChI=1S/C34H50N2O6S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-26-34(37)36(35-28)29-20-25-32(33(27-29)43(38,39)40)42-31-23-21-30(22-24-31)41-4-2/h20-27,35H,3-19H2,1-2H3,(H,38,39,40)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay |
Bioorg Med Chem 15: 3548-64 (2007)
Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T |
More data for this Ligand-Target Pair | |