Found 100 hits Enz. Inhib. hit(s) with all data for entry = 50044877 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 2C9
(Homo sapiens (Human)) | BDBM50034557
(CHEMBL3360360)Show SMILES [Na+].CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12 Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-7-6-13(10-16(18)22)21-24-20(25-30-21)14-4-3-5-17-15(14)11-23-26(17)9-8-19(27)28;/h3-7,10-12H,8-9H2,1-2H3,(H,27,28);/q;+1/p-1 | 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 | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50034556
(CHEMBL3359844)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12 Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(H,29,30) | 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 | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50034555
(CHEMBL3359847)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CCCC(O)=O)CCc2c1 Show InChI InChI=1S/C26H28N4O4/c1-17(2)33-23-8-7-21(15-22(23)16-27)26-28-25(29-34-26)20-6-5-18-9-12-30(11-3-4-24(31)32)13-10-19(18)14-20/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(H,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50034556
(CHEMBL3359844)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12 Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(H,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50034557
(CHEMBL3360360)Show SMILES [Na+].CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12 Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-7-6-13(10-16(18)22)21-24-20(25-30-21)14-4-3-5-17-15(14)11-23-26(17)9-8-19(27)28;/h3-7,10-12H,8-9H2,1-2H3,(H,27,28);/q;+1/p-1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50034554
(CHEMBL3359854)Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12 Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50034554
(CHEMBL3359854)Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12 Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50034555
(CHEMBL3359847)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CCCC(O)=O)CCc2c1 Show InChI InChI=1S/C26H28N4O4/c1-17(2)33-23-8-7-21(15-22(23)16-27)26-28-25(29-34-26)20-6-5-18-9-12-30(11-3-4-24(31)32)13-10-19(18)14-20/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50034556
(CHEMBL3359844)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12 Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(H,29,30) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50034557
(CHEMBL3360360)Show SMILES [Na+].CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12 Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-7-6-13(10-16(18)22)21-24-20(25-30-21)14-4-3-5-17-15(14)11-23-26(17)9-8-19(27)28;/h3-7,10-12H,8-9H2,1-2H3,(H,27,28);/q;+1/p-1 | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50034554
(CHEMBL3359854)Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12 Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50034554
(CHEMBL3359854)Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12 Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50034555
(CHEMBL3359847)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CCCC(O)=O)CCc2c1 Show InChI InChI=1S/C26H28N4O4/c1-17(2)33-23-8-7-21(15-22(23)16-27)26-28-25(29-34-26)20-6-5-18-9-12-30(11-3-4-24(31)32)13-10-19(18)14-20/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50034554
(CHEMBL3359854)Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12 Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50034554
(CHEMBL3359854)Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12 Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50034555
(CHEMBL3359847)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CCCC(O)=O)CCc2c1 Show InChI InChI=1S/C26H28N4O4/c1-17(2)33-23-8-7-21(15-22(23)16-27)26-28-25(29-34-26)20-6-5-18-9-12-30(11-3-4-24(31)32)13-10-19(18)14-20/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50034556
(CHEMBL3359844)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12 Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(H,29,30) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50034557
(CHEMBL3360360)Show SMILES [Na+].CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12 Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-7-6-13(10-16(18)22)21-24-20(25-30-21)14-4-3-5-17-15(14)11-23-26(17)9-8-19(27)28;/h3-7,10-12H,8-9H2,1-2H3,(H,27,28);/q;+1/p-1 | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50034554
(CHEMBL3359854)Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12 Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50034554
(CHEMBL3359854)Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12 Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034554
(CHEMBL3359854)Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12 Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30) | 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 | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034554
(CHEMBL3359854)Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12 Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30) | 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 | n/a | n/a | 9.99E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034558
(CHEMBL3359853)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12 Show InChI InChI=1S/C24H26ClN3O5/c1-14(2)32-20-10-9-15(13-18(20)25)24-27-23(28-33-24)17-6-3-5-16-19(7-4-8-21(29)30)26-11-12-31-22(16)17/h3,5-6,9-10,13-14,19,26H,4,7-8,11-12H2,1-2H3,(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 | 2.51E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034559
(CHEMBL3359852)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2C(CCC(O)=O)NCCOc12 Show InChI InChI=1S/C23H24ClN3O5/c1-13(2)31-19-8-6-14(12-17(19)24)23-26-22(27-32-23)16-5-3-4-15-18(7-9-20(28)29)25-10-11-30-21(15)16/h3-6,8,12-13,18,25H,7,9-11H2,1-2H3,(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 | <3.16E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034560
(CHEMBL3359851)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2OCC(CCC(O)=O)NCc2c1 Show InChI InChI=1S/C23H24ClN3O5/c1-13(2)31-20-7-4-15(10-18(20)24)23-26-22(27-32-23)14-3-6-19-16(9-14)11-25-17(12-30-19)5-8-21(28)29/h3-4,6-7,9-10,13,17,25H,5,8,11-12H2,1-2H3,(H,28,29) | 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 | n/a | n/a | 251 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034561
(CHEMBL3359850)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2OCC(NCc2c1)C(O)=O Show InChI InChI=1S/C21H20ClN3O5/c1-11(2)29-18-6-4-13(8-15(18)22)20-24-19(25-30-20)12-3-5-17-14(7-12)9-23-16(10-28-17)21(26)27/h3-8,11,16,23H,9-10H2,1-2H3,(H,26,27) | 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 | 794 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034563
(CHEMBL3359849)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2C(CC(O)=O)NCCc12 Show InChI InChI=1S/C23H22N4O4/c1-13(2)30-20-7-6-14(10-15(20)12-24)23-26-22(27-31-23)18-5-3-4-17-16(18)8-9-25-19(17)11-21(28)29/h3-7,10,13,19,25H,8-9,11H2,1-2H3,(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 | 1.26E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034564
(CHEMBL3359848)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2C(CC(O)=O)NCCc12 Show InChI InChI=1S/C22H22ClN3O4/c1-12(2)29-19-7-6-13(10-17(19)23)22-25-21(26-30-22)16-5-3-4-15-14(16)8-9-24-18(15)11-20(27)28/h3-7,10,12,18,24H,8-9,11H2,1-2H3,(H,27,28) | 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 | 5.01E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034555
(CHEMBL3359847)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CCCC(O)=O)CCc2c1 Show InChI InChI=1S/C26H28N4O4/c1-17(2)33-23-8-7-21(15-22(23)16-27)26-28-25(29-34-26)20-6-5-18-9-12-30(11-3-4-24(31)32)13-10-19(18)14-20/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(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 | 7.94E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034565
(CHEMBL3359846)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2CCN(CCC(O)=O)CCc2c1 Show InChI InChI=1S/C24H26ClN3O4/c1-15(2)31-21-6-5-19(14-20(21)25)24-26-23(27-32-24)18-4-3-16-7-10-28(12-9-22(29)30)11-8-17(16)13-18/h3-6,13-15H,7-12H2,1-2H3,(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 | 1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034566
(CHEMBL3359845)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CC(O)=O)CCc2c1 Show InChI InChI=1S/C24H24N4O4/c1-15(2)31-21-6-5-19(12-20(21)13-25)24-26-23(27-32-24)18-4-3-16-7-9-28(14-22(29)30)10-8-17(16)11-18/h3-6,11-12,15H,7-10,14H2,1-2H3,(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 | 2.00E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034556
(CHEMBL3359844)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12 Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(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 | <3.16E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034567
(CHEMBL3359843)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2CN(CC(O)=O)CCc12 Show InChI InChI=1S/C23H22N4O4/c1-14(2)30-20-7-6-15(10-17(20)11-24)23-25-22(26-31-23)19-5-3-4-16-12-27(13-21(28)29)9-8-18(16)19/h3-7,10,14H,8-9,12-13H2,1-2H3,(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 | <3.16E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034568
(CHEMBL3359842)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CN(CCC(O)=O)CCc2c1 Show InChI InChI=1S/C24H24N4O4/c1-15(2)31-21-6-5-18(12-20(21)13-25)24-26-23(27-32-24)17-3-4-19-14-28(10-8-22(29)30)9-7-16(19)11-17/h3-6,11-12,15H,7-10,14H2,1-2H3,(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 | 3.98E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034569
(CHEMBL3359841)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2OCCN(CCCC(O)=O)Cc2c1 Show InChI InChI=1S/C25H26N4O5/c1-16(2)33-22-8-6-18(13-19(22)14-26)25-27-24(28-34-25)17-5-7-21-20(12-17)15-29(10-11-32-21)9-3-4-23(30)31/h5-8,12-13,16H,3-4,9-11,15H2,1-2H3,(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 | 2.51E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034570
(CHEMBL3359840)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2OCCN(CCC(O)=O)Cc2c1 Show InChI InChI=1S/C24H24N4O5/c1-15(2)32-21-6-4-17(12-18(21)13-25)24-26-23(27-33-24)16-3-5-20-19(11-16)14-28(9-10-31-20)8-7-22(29)30/h3-6,11-12,15H,7-10,14H2,1-2H3,(H,29,30) | 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 | n/a | n/a | <3.16E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034571
(CHEMBL3359839)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2OCCN(CCC(O)=O)Cc2c1 Show InChI InChI=1S/C23H24ClN3O5/c1-14(2)31-20-6-4-16(12-18(20)24)23-25-22(26-32-23)15-3-5-19-17(11-15)13-27(9-10-30-19)8-7-21(28)29/h3-6,11-12,14H,7-10,13H2,1-2H3,(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 | 2.00E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034572
(CHEMBL3359838)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CCN(CC(O)=O)CCc12 Show InChI InChI=1S/C23H24ClN3O4/c1-14(2)30-20-7-6-16(12-19(20)24)23-25-22(26-31-23)18-5-3-4-15-8-10-27(13-21(28)29)11-9-17(15)18/h3-7,12,14H,8-11,13H2,1-2H3,(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 | <3.16E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034611
(CHEMBL3360379)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CCN(CCC(O)=O)CCc12 Show InChI InChI=1S/C24H26ClN3O4/c1-15(2)31-21-7-6-17(14-20(21)25)24-26-23(27-32-24)19-5-3-4-16-8-11-28(12-9-18(16)19)13-10-22(29)30/h3-7,14-15H,8-13H2,1-2H3,(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 | <3.16E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034612
(CHEMBL3360378)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)Cc12 Show InChI InChI=1S/C24H24N4O4/c1-15(2)31-21-9-8-16(11-18(21)12-25)24-26-23(27-32-24)19-6-3-5-17-13-28(14-20(17)19)10-4-7-22(29)30/h3,5-6,8-9,11,15H,4,7,10,13-14H2,1-2H3,(H,29,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | <3.16E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034613
(CHEMBL3360377)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)Cc12 Show InChI InChI=1S/C23H24ClN3O4/c1-14(2)30-20-9-8-15(11-19(20)24)23-25-22(26-31-23)17-6-3-5-16-12-27(13-18(16)17)10-4-7-21(28)29/h3,5-6,8-9,11,14H,4,7,10,12-13H2,1-2H3,(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 | 2.00E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034614
(CHEMBL3360376)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCC(O)=O)Cc12 Show InChI InChI=1S/C22H22ClN3O4/c1-13(2)29-19-7-6-14(10-18(19)23)22-24-21(25-30-22)16-5-3-4-15-11-26(12-17(15)16)9-8-20(27)28/h3-7,10,13H,8-9,11-12H2,1-2H3,(H,27,28) | 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 | 7.94E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034615
(CHEMBL3360375)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CNCCCc12 Show InChI InChI=1S/C21H22ClN3O2/c1-13(2)26-19-9-8-14(11-18(19)22)21-24-20(25-27-21)17-6-3-5-15-12-23-10-4-7-16(15)17/h3,5-6,8-9,11,13,23H,4,7,10,12H2,1-2H3 | 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 | <3.16E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034616
(CHEMBL3360374)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CNCCCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-14(2)27-20-8-7-17(11-19(20)12-23)22-25-21(26-28-22)16-5-6-18-13-24-9-3-4-15(18)10-16/h5-8,10-11,14,24H,3-4,9,13H2,1-2H3 | 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 | <3.16E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034617
(CHEMBL3360373)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2CNCCCc2c1 Show InChI InChI=1S/C21H22ClN3O2/c1-13(2)26-19-8-7-16(11-18(19)22)21-24-20(25-27-21)15-5-6-17-12-23-9-3-4-14(17)10-15/h5-8,10-11,13,23H,3-4,9,12H2,1-2H3 | 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 | <3.16E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034622
(CHEMBL3360372)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CNCCOc2c1 Show InChI InChI=1S/C21H20N4O3/c1-13(2)27-18-6-5-15(9-17(18)11-22)21-24-20(25-28-21)14-3-4-16-12-23-7-8-26-19(16)10-14/h3-6,9-10,13,23H,7-8,12H2,1-2H3 | 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 | <3.16E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034624
(CHEMBL3360371)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2CNCCOc2c1 Show InChI InChI=1S/C20H20ClN3O3/c1-12(2)26-17-6-5-14(9-16(17)21)20-23-19(24-27-20)13-3-4-15-11-22-7-8-25-18(15)10-13/h3-6,9-10,12,22H,7-8,11H2,1-2H3 | 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 | <3.16E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034626
(CHEMBL3360370)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCNCCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-14(2)27-20-6-5-18(12-19(20)13-23)22-25-21(26-28-22)17-4-3-15-7-9-24-10-8-16(15)11-17/h3-6,11-12,14,24H,7-10H2,1-2H3 | 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 | <3.16E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034627
(CHEMBL3360369)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2CCNCCc2c1 Show InChI InChI=1S/C21H22ClN3O2/c1-13(2)26-19-6-5-17(12-18(19)22)21-24-20(25-27-21)16-4-3-14-7-9-23-10-8-15(14)11-16/h3-6,11-13,23H,7-10H2,1-2H3 | 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 | <3.16E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034628
(CHEMBL3360368)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2OCCNCc2c1 Show InChI InChI=1S/C21H20N4O3/c1-13(2)27-19-6-4-15(10-16(19)11-22)21-24-20(25-28-21)14-3-5-18-17(9-14)12-23-7-8-26-18/h3-6,9-10,13,23H,7-8,12H2,1-2H3 | 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 | n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this Ligand-Target Pair | |