Found 5 hits for monomerid = 50237417 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Sphingosine kinase 1 (SPHK1)
(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 UniProtKB/TrEMBL
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 (SPHK1)
(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 UniProtKB/TrEMBL
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 | |
Sphingosine kinase 1 (SPHK1)
(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 UniProtKB/TrEMBL
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 (SPHK1)
(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 UniProtKB/TrEMBL
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 types 2 (SphK2)
(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 | UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 443 | 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 | |