Found 64 hits with Last Name = 'rex-rabe' and Initial = 's' 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 |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50156672
(CHEMBL3794064)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C23H17F3N4O4/c24-23(25,26)17-18(14-4-2-1-3-5-14)28-33-19(17)21-27-20(29-34-21)15-8-6-13(7-9-15)10-30-11-16(12-30)22(31)32/h1-9,16H,10-12H2,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human ERG by patch clamp method |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50156672
(CHEMBL3794064)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C23H17F3N4O4/c24-23(25,26)17-18(14-4-2-1-3-5-14)28-33-19(17)21-27-20(29-34-21)15-8-6-13(7-9-15)10-30-11-16(12-30)22(31)32/h1-9,16H,10-12H2,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50156671
(CHEMBL3794145)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccn2)C1 Show InChI InChI=1S/C22H16F3N5O4/c23-22(24,25)16-17(15-3-1-2-8-26-15)28-33-18(16)20-27-19(29-34-20)13-6-4-12(5-7-13)9-30-10-14(11-30)21(31)32/h1-8,14H,9-11H2,(H,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 26: 2470-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.105 BindingDB Entry DOI: 10.7270/Q23T9K3M |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50156671
(CHEMBL3794145)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccn2)C1 Show InChI InChI=1S/C22H16F3N5O4/c23-22(24,25)16-17(15-3-1-2-8-26-15)28-33-18(16)20-27-19(29-34-20)13-6-4-12(5-7-13)9-30-10-14(11-30)21(31)32/h1-8,14H,9-11H2,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 26: 2470-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.105 BindingDB Entry DOI: 10.7270/Q23T9K3M |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50156671
(CHEMBL3794145)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccn2)C1 Show InChI InChI=1S/C22H16F3N5O4/c23-22(24,25)16-17(15-3-1-2-8-26-15)28-33-18(16)20-27-19(29-34-20)13-6-4-12(5-7-13)9-30-10-14(11-30)21(31)32/h1-8,14H,9-11H2,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 26: 2470-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.105 BindingDB Entry DOI: 10.7270/Q23T9K3M |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50156671
(CHEMBL3794145)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccn2)C1 Show InChI InChI=1S/C22H16F3N5O4/c23-22(24,25)16-17(15-3-1-2-8-26-15)28-33-18(16)20-27-19(29-34-20)13-6-4-12(5-7-13)9-30-10-14(11-30)21(31)32/h1-8,14H,9-11H2,(H,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 26: 2470-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.105 BindingDB Entry DOI: 10.7270/Q23T9K3M |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50156671
(CHEMBL3794145)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccn2)C1 Show InChI InChI=1S/C22H16F3N5O4/c23-22(24,25)16-17(15-3-1-2-8-26-15)28-33-18(16)20-27-19(29-34-20)13-6-4-12(5-7-13)9-30-10-14(11-30)21(31)32/h1-8,14H,9-11H2,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 26: 2470-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.105 BindingDB Entry DOI: 10.7270/Q23T9K3M |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50156671
(CHEMBL3794145)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccn2)C1 Show InChI InChI=1S/C22H16F3N5O4/c23-22(24,25)16-17(15-3-1-2-8-26-15)28-33-18(16)20-27-19(29-34-20)13-6-4-12(5-7-13)9-30-10-14(11-30)21(31)32/h1-8,14H,9-11H2,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 26: 2470-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.105 BindingDB Entry DOI: 10.7270/Q23T9K3M |
More data for this Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50156671
(CHEMBL3794145)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccn2)C1 Show InChI InChI=1S/C22H16F3N5O4/c23-22(24,25)16-17(15-3-1-2-8-26-15)28-33-18(16)20-27-19(29-34-20)13-6-4-12(5-7-13)9-30-10-14(11-30)21(31)32/h1-8,14H,9-11H2,(H,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2B6 (unknown origin) |
Bioorg Med Chem Lett 26: 2470-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.105 BindingDB Entry DOI: 10.7270/Q23T9K3M |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50156672
(CHEMBL3794064)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C23H17F3N4O4/c24-23(25,26)17-18(14-4-2-1-3-5-14)28-33-19(17)21-27-20(29-34-21)15-8-6-13(7-9-15)10-30-11-16(12-30)22(31)32/h1-9,16H,10-12H2,(H,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50156672
(CHEMBL3794064)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C23H17F3N4O4/c24-23(25,26)17-18(14-4-2-1-3-5-14)28-33-19(17)21-27-20(29-34-21)15-8-6-13(7-9-15)10-30-11-16(12-30)22(31)32/h1-9,16H,10-12H2,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50156672
(CHEMBL3794064)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C23H17F3N4O4/c24-23(25,26)17-18(14-4-2-1-3-5-14)28-33-19(17)21-27-20(29-34-21)15-8-6-13(7-9-15)10-30-11-16(12-30)22(31)32/h1-9,16H,10-12H2,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50156672
(CHEMBL3794064)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C23H17F3N4O4/c24-23(25,26)17-18(14-4-2-1-3-5-14)28-33-19(17)21-27-20(29-34-21)15-8-6-13(7-9-15)10-30-11-16(12-30)22(31)32/h1-9,16H,10-12H2,(H,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50156672
(CHEMBL3794064)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C23H17F3N4O4/c24-23(25,26)17-18(14-4-2-1-3-5-14)28-33-19(17)21-27-20(29-34-21)15-8-6-13(7-9-15)10-30-11-16(12-30)22(31)32/h1-9,16H,10-12H2,(H,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2B6 (unknown origin) |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50156672
(CHEMBL3794064)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C23H17F3N4O4/c24-23(25,26)17-18(14-4-2-1-3-5-14)28-33-19(17)21-27-20(29-34-21)15-8-6-13(7-9-15)10-30-11-16(12-30)22(31)32/h1-9,16H,10-12H2,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50156674
(CHEMBL3793145)Show SMILES CCCc1c(noc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1)-c1ccccn1 Show InChI InChI=1S/C24H23N5O4/c1-2-5-18-20(19-6-3-4-11-25-19)27-32-21(18)23-26-22(28-33-23)16-9-7-15(8-10-16)12-29-13-17(14-29)24(30)31/h3-4,6-11,17H,2,5,12-14H2,1H3,(H,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.210 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liq... |
Bioorg Med Chem Lett 26: 2470-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.105 BindingDB Entry DOI: 10.7270/Q23T9K3M |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50156671
(CHEMBL3794145)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccn2)C1 Show InChI InChI=1S/C22H16F3N5O4/c23-22(24,25)16-17(15-3-1-2-8-26-15)28-33-18(16)20-27-19(29-34-20)13-6-4-12(5-7-13)9-30-10-14(11-30)21(31)32/h1-8,14H,9-11H2,(H,31,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes assessed as stimulation of [35S]GTPgamma binding incubated ... |
Bioorg Med Chem Lett 26: 2470-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.105 BindingDB Entry DOI: 10.7270/Q23T9K3M |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50156676
(CHEMBL3793185)Show SMILES CCCc1c(noc1-c1ccccn1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H23N5O4/c1-2-5-18-20(27-32-21(18)19-6-3-4-11-25-19)23-26-22(28-33-23)16-9-7-15(8-10-16)12-29-13-17(14-29)24(30)31/h3-4,6-11,17H,2,5,12-14H2,1H3,(H,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.820 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liq... |
Bioorg Med Chem Lett 26: 2470-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.105 BindingDB Entry DOI: 10.7270/Q23T9K3M |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50156677
(CHEMBL3792704)Show SMILES CCc1c(noc1-c1ccccn1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H21N5O4/c1-2-17-19(26-31-20(17)18-5-3-4-10-24-18)22-25-21(27-32-22)15-8-6-14(7-9-15)11-28-12-16(13-28)23(29)30/h3-10,16H,2,11-13H2,1H3,(H,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liq... |
Bioorg Med Chem Lett 26: 2470-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.105 BindingDB Entry DOI: 10.7270/Q23T9K3M |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164487
(CHEMBL3799701)Show SMILES CCCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C26H26N4O4/c1-2-3-9-21-22(28-33-23(21)18-7-5-4-6-8-18)25-27-24(29-34-25)19-12-10-17(11-13-19)14-30-15-20(16-30)26(31)32/h4-8,10-13,20H,2-3,9,14-16H2,1H3,(H,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164488
(CHEMBL3799693)Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C25H24N4O4/c1-2-6-20-21(27-32-22(20)17-7-4-3-5-8-17)24-26-23(28-33-24)18-11-9-16(10-12-18)13-29-14-19(15-29)25(30)31/h3-5,7-12,19H,2,6,13-15H2,1H3,(H,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.440 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164489
(CHEMBL3800595)Show SMILES CCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H22N4O4/c1-2-19-20(26-31-21(19)16-6-4-3-5-7-16)23-25-22(27-32-23)17-10-8-15(9-11-17)12-28-13-18(14-28)24(29)30/h3-11,18H,2,12-14H2,1H3,(H,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164490
(CHEMBL3800122)Show SMILES Cc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H20N4O4/c1-14-19(25-30-20(14)16-5-3-2-4-6-16)22-24-21(26-31-22)17-9-7-15(8-10-17)11-27-12-18(13-27)23(28)29/h2-10,18H,11-13H2,1H3,(H,28,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164491
(CHEMBL3799501)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(on2)-c2ccccc2)C1 Show InChI InChI=1S/C22H18N4O4/c27-22(28)17-12-26(13-17)11-14-6-8-16(9-7-14)20-23-21(30-25-20)18-10-19(29-24-18)15-4-2-1-3-5-15/h1-10,17H,11-13H2,(H,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164492
(CHEMBL3797415)Show SMILES CC(C)Cc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C26H26N4O4/c1-16(2)12-21-22(28-33-23(21)18-6-4-3-5-7-18)25-27-24(29-34-25)19-10-8-17(9-11-19)13-30-14-20(15-30)26(31)32/h3-11,16,20H,12-15H2,1-2H3,(H,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.560 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164493
(CHEMBL3800513)Show SMILES CC(C)c1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C25H24N4O4/c1-15(2)20-21(27-32-22(20)17-6-4-3-5-7-17)24-26-23(28-33-24)18-10-8-16(9-11-18)12-29-13-19(14-29)25(30)31/h3-11,15,19H,12-14H2,1-2H3,(H,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164494
(CHEMBL3798775)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2noc(c2C2CC2)-c2ccccc2)C1 Show InChI InChI=1S/C25H22N4O4/c30-25(31)19-13-29(14-19)12-15-6-8-18(9-7-15)23-26-24(33-28-23)21-20(16-10-11-16)22(32-27-21)17-4-2-1-3-5-17/h1-9,16,19H,10-14H2,(H,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164495
(CHEMBL3798531)Show SMILES CC(C)(C)c1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C26H26N4O4/c1-26(2,3)20-21(28-33-22(20)17-7-5-4-6-8-17)24-27-23(29-34-24)18-11-9-16(10-12-18)13-30-14-19(15-30)25(31)32/h4-12,19H,13-15H2,1-3H3,(H,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164496
(CHEMBL3798784)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2noc(c2-c2ccccc2)-c2ccccc2)C1 Show InChI InChI=1S/C28H22N4O4/c33-28(34)22-16-32(17-22)15-18-11-13-21(14-12-18)26-29-27(36-31-26)24-23(19-7-3-1-4-8-19)25(35-30-24)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,33,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.990 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164497
(CHEMBL3800349)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2noc(c2C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C23H17F3N4O4/c24-23(25,26)17-18(28-33-19(17)14-4-2-1-3-5-14)21-27-20(29-34-21)15-8-6-13(7-9-15)10-30-11-16(12-30)22(31)32/h1-9,16H,10-12H2,(H,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.980 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164498
(CHEMBL3798735)Show SMILES CC(F)(F)c1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H20F2N4O4/c1-24(25,26)18-19(28-33-20(18)15-5-3-2-4-6-15)22-27-21(29-34-22)16-9-7-14(8-10-16)11-30-12-17(13-30)23(31)32/h2-10,17H,11-13H2,1H3,(H,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.540 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164499
(CHEMBL3797951)Show SMILES CCCc1c(CC(C)C)onc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H28N4O4/c1-4-5-18-19(10-14(2)3)30-25-20(18)22-24-21(26-31-22)16-8-6-15(7-9-16)11-27-12-17(13-27)23(28)29/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,28,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164500
(CHEMBL3800091)Show SMILES CC(C)Cc1onc(-c2nc(no2)-c2ccc(CN3CC(C3)C(O)=O)cc2)c1C(F)(F)F Show InChI InChI=1S/C21H21F3N4O4/c1-11(2)7-15-16(21(22,23)24)17(26-31-15)19-25-18(27-32-19)13-5-3-12(4-6-13)8-28-9-14(10-28)20(29)30/h3-6,11,14H,7-10H2,1-2H3,(H,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.390 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164501
(CHEMBL3798560)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(no2)-c2ccccc2)C1 Show InChI InChI=1S/C22H18N4O4/c27-22(28)17-12-26(13-17)11-14-6-8-16(9-7-14)20-23-21(30-25-20)19-10-18(24-29-19)15-4-2-1-3-5-15/h1-10,17H,11-13H2,(H,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164502
(CHEMBL3799276)Show SMILES Cc1c(noc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C23H20N4O4/c1-14-19(16-5-3-2-4-6-16)25-30-20(14)22-24-21(26-31-22)17-9-7-15(8-10-17)11-27-12-18(13-27)23(28)29/h2-10,18H,11-13H2,1H3,(H,28,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50164503
(CHEMBL3800257)Show SMILES CCCc1c(noc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C25H24N4O4/c1-2-6-20-21(17-7-4-3-5-8-17)27-32-22(20)24-26-23(28-33-24)18-11-9-16(10-12-18)13-29-14-19(15-29)25(30)31/h3-5,7-12,19H,2,6,13-15H2,1H3,(H,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.440 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50156672
(CHEMBL3794064)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C23H17F3N4O4/c24-23(25,26)17-18(14-4-2-1-3-5-14)28-33-19(17)21-27-20(29-34-21)15-8-6-13(7-9-15)10-30-11-16(12-30)22(31)32/h1-9,16H,10-12H2,(H,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.470 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50164491
(CHEMBL3799501)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(on2)-c2ccccc2)C1 Show InChI InChI=1S/C22H18N4O4/c27-22(28)17-12-26(13-17)11-14-6-8-16(9-7-14)20-23-21(30-25-20)18-10-19(29-24-18)15-4-2-1-3-5-15/h1-10,17H,11-13H2,(H,27,28) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50164490
(CHEMBL3800122)Show SMILES Cc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H20N4O4/c1-14-19(25-30-20(14)16-5-3-2-4-6-16)22-24-21(26-31-22)17-9-7-15(8-10-17)11-27-12-18(13-27)23(28)29/h2-10,18H,11-13H2,1H3,(H,28,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >31 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50164489
(CHEMBL3800595)Show SMILES CCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H22N4O4/c1-2-19-20(26-31-21(19)16-6-4-3-5-7-16)23-25-22(27-32-23)17-10-8-15(9-11-17)12-28-13-18(14-28)24(29)30/h3-11,18H,2,12-14H2,1H3,(H,29,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50164488
(CHEMBL3799693)Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C25H24N4O4/c1-2-6-20-21(27-32-22(20)17-7-4-3-5-8-17)24-26-23(28-33-24)18-11-9-16(10-12-18)13-29-14-19(15-29)25(30)31/h3-5,7-12,19H,2,6,13-15H2,1H3,(H,30,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50164487
(CHEMBL3799701)Show SMILES CCCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C26H26N4O4/c1-2-3-9-21-22(28-33-23(21)18-7-5-4-6-8-18)25-27-24(29-34-25)19-12-10-17(11-13-19)14-30-15-20(16-30)26(31)32/h4-8,10-13,20H,2-3,9,14-16H2,1H3,(H,31,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 680 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50164492
(CHEMBL3797415)Show SMILES CC(C)Cc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C26H26N4O4/c1-16(2)12-21-22(28-33-23(21)18-6-4-3-5-7-18)25-27-24(29-34-25)19-10-8-17(9-11-19)13-30-14-20(15-30)26(31)32/h3-11,16,20H,12-15H2,1-2H3,(H,31,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 730 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50164493
(CHEMBL3800513)Show SMILES CC(C)c1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C25H24N4O4/c1-15(2)20-21(27-32-22(20)17-6-4-3-5-7-17)24-26-23(28-33-24)18-10-8-16(9-11-18)12-29-13-19(14-29)25(30)31/h3-11,15,19H,12-14H2,1-2H3,(H,30,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50164494
(CHEMBL3798775)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2noc(c2C2CC2)-c2ccccc2)C1 Show InChI InChI=1S/C25H22N4O4/c30-25(31)19-13-29(14-19)12-15-6-8-18(9-7-15)23-26-24(33-28-23)21-20(16-10-11-16)22(32-27-21)17-4-2-1-3-5-17/h1-9,16,19H,10-14H2,(H,30,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50164495
(CHEMBL3798531)Show SMILES CC(C)(C)c1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C26H26N4O4/c1-26(2,3)20-21(28-33-22(20)17-7-5-4-6-8-17)24-27-23(29-34-24)18-11-9-16(10-12-18)13-30-14-19(15-30)25(31)32/h4-12,19H,13-15H2,1-3H3,(H,31,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50164496
(CHEMBL3798784)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2noc(c2-c2ccccc2)-c2ccccc2)C1 Show InChI InChI=1S/C28H22N4O4/c33-28(34)22-16-32(17-22)15-18-11-13-21(14-12-18)26-29-27(36-31-26)24-23(19-7-3-1-4-8-19)25(35-30-24)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,33,34) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50164497
(CHEMBL3800349)Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2noc(c2C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C23H17F3N4O4/c24-23(25,26)17-18(28-33-19(17)14-4-2-1-3-5-14)21-27-20(29-34-21)15-8-6-13(7-9-15)10-30-11-16(12-30)22(31)32/h1-9,16H,10-12H2,(H,31,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50164498
(CHEMBL3798735)Show SMILES CC(F)(F)c1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H20F2N4O4/c1-24(25,26)18-19(28-33-20(18)15-5-3-2-4-6-15)22-27-21(29-34-22)16-9-7-14(8-10-16)11-30-12-17(13-30)23(31)32/h2-10,17H,11-13H2,1H3,(H,31,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50164499
(CHEMBL3797951)Show SMILES CCCc1c(CC(C)C)onc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H28N4O4/c1-4-5-18-19(10-14(2)3)30-25-20(18)22-24-21(26-31-22)16-8-6-15(7-9-16)11-27-12-17(13-27)23(28)29/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,28,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 850 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay |
J Med Chem 59: 2820-40 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K |
More data for this Ligand-Target Pair | |