Found 484 hits with Last Name = 'jerome' and Initial = 'g' 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 |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50064015
(7-Propyl-azepan-(2Z)-ylideneamine; hydrochloride |...)Show InChI InChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against L-arginine binding to Inducible nitric oxide synthase |
J Med Chem 41: 1361-6 (1998)
Article DOI: 10.1021/jm9704715 BindingDB Entry DOI: 10.7270/Q2348M29 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237417
(CHEMBL4077280)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO4S/c1-20-13-23(19-32(29,30)26-5-3-2-4-6-26)15-25(14-20)31-18-22-9-7-21(8-10-22)16-27-12-11-24(28)17-27/h2-10,13-15,24,28H,11-12,16-19H2,1H3/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237435
(CHEMBL4066270)Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C25H33NO2/c27-18-24-9-5-15-26(24)17-20-11-13-21(14-12-20)19-28-25-10-4-8-23(16-25)22-6-2-1-3-7-22/h4,8,10-14,16,22,24,27H,1-3,5-7,9,15,17-19H2/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human progesterone receptor |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237418
(CHEMBL4061789)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50385150
(CHEMBL2035650)Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)-c1ccccc1 Show InChI InChI=1S/C19H20F3N3O/c20-19(21,22)13-25-10-8-16(9-11-25)24-18(26)15-6-7-17(23-12-15)14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,24,26) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of HPGDS |
Bioorg Med Chem Lett 22: 3795-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.004 BindingDB Entry DOI: 10.7270/Q28C9X82 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237420
(CHEMBL4090361)Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C26H29NO4S/c28-18-24-7-5-15-27(24)17-21-11-13-22(14-12-21)19-31-25-8-4-6-23(16-25)20-32(29,30)26-9-2-1-3-10-26/h1-4,6,8-14,16,24,28H,5,7,15,17-20H2/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237422
(CHEMBL4086094)Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C22H29NO2/c1-17(2)20-5-3-7-22(13-20)25-16-19-10-8-18(9-11-19)14-23-12-4-6-21(23)15-24/h3,5,7-11,13,17,21,24H,4,6,12,14-16H2,1-2H3/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237435
(CHEMBL4066270)Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C25H33NO2/c27-18-24-9-5-15-26(24)17-20-11-13-21(14-12-20)19-28-25-10-4-8-23(16-25)22-6-2-1-3-7-22/h4,8,10-14,16,22,24,27H,1-3,5-7,9,15,17-19H2/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity at human progesterone receptor. |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237422
(CHEMBL4086094)Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C22H29NO2/c1-17(2)20-5-3-7-22(13-20)25-16-19-10-8-18(9-11-19)14-23-12-4-6-21(23)15-24/h3,5,7-11,13,17,21,24H,4,6,12,14-16H2,1-2H3/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50041978
(CHEMBL3134157)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237431
(CHEMBL4063424)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237435
(CHEMBL4066270)Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C25H33NO2/c27-18-24-9-5-15-26(24)17-20-11-13-21(14-12-20)19-28-25-10-4-8-23(16-25)22-6-2-1-3-7-22/h4,8,10-14,16,22,24,27H,1-3,5-7,9,15,17-19H2/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50237422
(CHEMBL4086094)Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C22H29NO2/c1-17(2)20-5-3-7-22(13-20)25-16-19-10-8-18(9-11-19)14-23-12-4-6-21(23)15-24/h3,5,7-11,13,17,21,24H,4,6,12,14-16H2,1-2H3/t21-/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50237435
(CHEMBL4066270)Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C25H33NO2/c27-18-24-9-5-15-26(24)17-20-11-13-21(14-12-20)19-28-25-10-4-8-23(16-25)22-6-2-1-3-7-22/h4,8,10-14,16,22,24,27H,1-3,5-7,9,15,17-19H2/t24-/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237421
(CHEMBL4069327)Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)C3CC3)c2)cc1 |r| Show InChI InChI=1S/C23H29NO4S/c25-15-21-4-2-12-24(21)14-18-6-8-19(9-7-18)16-28-22-5-1-3-20(13-22)17-29(26,27)23-10-11-23/h1,3,5-9,13,21,23,25H,2,4,10-12,14-17H2/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237423
(CHEMBL4104017)Show SMILES Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C22H25N3O3/c1-16-23-22(24-28-16)19-4-2-6-21(12-19)27-15-18-9-7-17(8-10-18)13-25-11-3-5-20(25)14-26/h2,4,6-10,12,20,26H,3,5,11,13-15H2,1H3/t20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237435
(CHEMBL4066270)Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C25H33NO2/c27-18-24-9-5-15-26(24)17-20-11-13-21(14-12-20)19-28-25-10-4-8-23(16-25)22-6-2-1-3-7-22/h4,8,10-14,16,22,24,27H,1-3,5-7,9,15,17-19H2/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50435048
(CHEMBL2391142)Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C27H29ClF3N3O4/c28-22-14-23-24(13-21(22)17-4-6-20(7-5-17)38-27(29,30)31)37-26(33-23)34-10-8-18(9-11-34)25(36)32-19-3-1-2-16(12-19)15-35/h4-7,13-14,16,18-19,35H,1-3,8-12,15H2,(H,32,36)/t16-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA |
Bioorg Med Chem Lett 23: 1114-9 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237418
(CHEMBL4061789)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237418
(CHEMBL4061789)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50041978
(CHEMBL3134157)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237420
(CHEMBL4090361)Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C26H29NO4S/c28-18-24-7-5-15-27(24)17-21-11-13-22(14-12-21)19-31-25-8-4-6-23(16-25)20-32(29,30)26-9-2-1-3-10-26/h1-4,6,8-14,16,24,28H,5,7,15,17-20H2/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50385142
(CHEMBL2035651)Show InChI InChI=1S/C22H23N3O2/c26-22(24-11-12-25-13-15-27-16-14-25)19-7-5-18(6-8-19)21-20-4-2-1-3-17(20)9-10-23-21/h1-10H,11-16H2,(H,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.34 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HPGDS using PGH2 as substrate assessed as production of PGD2 preincubated for 10 mins prior substrate addition measur... |
Bioorg Med Chem Lett 22: 3795-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.004 BindingDB Entry DOI: 10.7270/Q28C9X82 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237420
(CHEMBL4090361)Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C26H29NO4S/c28-18-24-7-5-15-27(24)17-21-11-13-22(14-12-21)19-31-25-8-4-6-23(16-25)20-32(29,30)26-9-2-1-3-10-26/h1-4,6,8-14,16,24,28H,5,7,15,17-20H2/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50237423
(CHEMBL4104017)Show SMILES Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C22H25N3O3/c1-16-23-22(24-28-16)19-4-2-6-21(12-19)27-15-18-9-7-17(8-10-18)13-25-11-3-5-20(25)14-26/h2,4,6-10,12,20,26H,3,5,11,13-15H2,1H3/t20-/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237417
(CHEMBL4077280)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO4S/c1-20-13-23(19-32(29,30)26-5-3-2-4-6-26)15-25(14-20)31-18-22-9-7-21(8-10-22)16-27-12-11-24(28)17-27/h2-10,13-15,24,28H,11-12,16-19H2,1H3/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50041978
(CHEMBL3134157)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Effective concentration for human progesterone receptor in T47D human breast cancer cell |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50435047
(CHEMBL2391299)Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H29ClFN3O3/c27-22-14-23-24(13-21(22)17-4-6-19(28)7-5-17)34-26(30-23)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA |
Bioorg Med Chem Lett 23: 1114-9 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50435045
(CHEMBL2391141)Show SMILES CCOc1ccc(cc1)-c1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C28H34ClN3O4/c1-2-35-22-8-6-19(7-9-22)23-15-26-25(16-24(23)29)31-28(36-26)32-12-10-20(11-13-32)27(34)30-21-5-3-4-18(14-21)17-33/h6-9,15-16,18,20-21,33H,2-5,10-14,17H2,1H3,(H,30,34)/t18-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA |
Bioorg Med Chem Lett 23: 1114-9 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50435046
(CHEMBL2391140)Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-5-2-4-18(12-19)21-13-24-23(14-22(21)28)30-26(34-24)31-9-7-17(8-10-31)25(33)29-20-6-1-3-16(11-20)15-32/h2,4-5,12-14,16-17,20,32H,1,3,6-11,15H2,(H,29,33)/t16-,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA |
Bioorg Med Chem Lett 23: 1114-9 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237417
(CHEMBL4077280)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO4S/c1-20-13-23(19-32(29,30)26-5-3-2-4-6-26)15-25(14-20)31-18-22-9-7-21(8-10-22)16-27-12-11-24(28)17-27/h2-10,13-15,24,28H,11-12,16-19H2,1H3/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50426967
(CHEMBL2325079 | PF-4693627)Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA |
Bioorg Med Chem Lett 23: 1114-9 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50426967
(CHEMBL2325079 | PF-4693627)Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human mPGES1 by ELISA |
Bioorg Med Chem Lett 23: 1120-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237419
(CHEMBL4103414)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CNCCO)cc2)c1 Show InChI InChI=1S/C24H27NO4S/c1-19-13-22(18-30(27,28)24-5-3-2-4-6-24)15-23(14-19)29-17-21-9-7-20(8-10-21)16-25-11-12-26/h2-10,13-15,25-26H,11-12,16-18H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237431
(CHEMBL4063424)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Antagonistic activity at human progesterone receptor in CV-1 cells. |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237431
(CHEMBL4063424)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237426
(CHEMBL4091588)Show SMILES Cc1nc2ccc(cc2n1CCC1CCC1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C26H33N3O/c1-19-27-25-12-11-23(16-26(25)29(19)15-13-20-4-2-5-20)22-9-7-21(8-10-22)17-28-14-3-6-24(28)18-30/h7-12,16,20,24,30H,2-6,13-15,17-18H2,1H3/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Effective concentration for agonist activity towards human progesterone receptor (hPR) using the cotransfection assay in CV-1 cells |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237436
(CHEMBL4086161)Show SMILES CC(C)CCn1c(C)nc2ccc(cc12)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C25H33N3O/c1-18(2)12-14-28-19(3)26-24-11-10-22(15-25(24)28)21-8-6-20(7-9-21)16-27-13-4-5-23(27)17-29/h6-11,15,18,23,29H,4-5,12-14,16-17H2,1-3H3/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237423
(CHEMBL4104017)Show SMILES Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C22H25N3O3/c1-16-23-22(24-28-16)19-4-2-6-21(12-19)27-15-18-9-7-17(8-10-18)13-25-11-3-5-20(25)14-26/h2,4,6-10,12,20,26H,3,5,11,13-15H2,1H3/t20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237422
(CHEMBL4086094)Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C22H29NO2/c1-17(2)20-5-3-7-22(13-20)25-16-19-10-8-18(9-11-19)14-23-12-4-6-21(23)15-24/h3,5,7-11,13,17,21,24H,4,6,12,14-16H2,1-2H3/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237417
(CHEMBL4077280)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO4S/c1-20-13-23(19-32(29,30)26-5-3-2-4-6-26)15-25(14-20)31-18-22-9-7-21(8-10-22)16-27-12-11-24(28)17-27/h2-10,13-15,24,28H,11-12,16-19H2,1H3/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human progesterone receptor |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237419
(CHEMBL4103414)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CNCCO)cc2)c1 Show InChI InChI=1S/C24H27NO4S/c1-19-13-22(18-30(27,28)24-5-3-2-4-6-24)15-23(14-19)29-17-21-9-7-20(8-10-21)16-25-11-12-26/h2-10,13-15,25-26H,11-12,16-18H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50435044
(CHEMBL2391295)Show SMILES CC(C)c1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C23H32ClN3O3/c1-14(2)18-11-21-20(12-19(18)24)26-23(30-21)27-8-6-16(7-9-27)22(29)25-17-5-3-4-15(10-17)13-28/h11-12,14-17,28H,3-10,13H2,1-2H3,(H,25,29)/t15-,17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA |
Bioorg Med Chem Lett 23: 1114-9 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50426967
(CHEMBL2325079 | PF-4693627)Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 in human fetal fibroblast cells assessed as PGF2alpha level after 50 mins by ELISA |
Bioorg Med Chem Lett 23: 1114-9 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237418
(CHEMBL4061789)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237436
(CHEMBL4086161)Show SMILES CC(C)CCn1c(C)nc2ccc(cc12)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C25H33N3O/c1-18(2)12-14-28-19(3)26-24-11-10-22(15-25(24)28)21-8-6-20(7-9-21)16-27-13-4-5-23(27)17-29/h6-11,15,18,23,29H,4-5,12-14,16-17H2,1-3H3/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub... |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50425313
(CHEMBL2315853)Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r| Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA |
Bioorg Med Chem Lett 23: 1114-9 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50237426
(CHEMBL4091588)Show SMILES Cc1nc2ccc(cc2n1CCC1CCC1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C26H33N3O/c1-19-27-25-12-11-23(16-26(25)29(19)15-13-20-4-2-5-20)22-9-7-21(8-10-22)17-28-14-3-6-24(28)18-30/h7-12,16,20,24,30H,2-6,13-15,17-18H2,1H3/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Agonist activity against human melanocortin receptor hMC1R at 50% maximum cAMP accumulation |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50385144
(CHEMBL2035653)Show SMILES Cc1cc2ccccc2c(n1)-c1ccc(cc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H25N3O2/c1-17-16-20-4-2-3-5-21(20)22(25-17)18-6-8-19(9-7-18)23(27)24-10-11-26-12-14-28-15-13-26/h2-9,16H,10-15H2,1H3,(H,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 8.26 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HPGDS using PGH2 as substrate assessed as production of PGD2 preincubated for 10 mins prior substrate addition measur... |
Bioorg Med Chem Lett 22: 3795-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.004 BindingDB Entry DOI: 10.7270/Q28C9X82 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50426956
(CHEMBL2325076)Show SMILES CC(C)(O)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C23H29ClF3N3O3/c1-22(2,32)14-4-3-5-15(10-14)28-20(31)13-6-8-30(9-7-13)21-29-18-12-17(24)16(23(25,26)27)11-19(18)33-21/h11-15,32H,3-10H2,1-2H3,(H,28,31)/t14-,15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human mPGES1 by ELISA |
Bioorg Med Chem Lett 23: 1120-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS |
More data for this Ligand-Target Pair | |