null
SMILES: CC(C)(O)c1ccc(cc1)N1Cc2c(ccnc2-c2ccc(F)cc2OCC(F)(F)F)C1=O
InChI Key:
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ceramide glucosyltransferase (Homo sapiens (Human)) | BDBM50585893![]() (CHEMBL5078078) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human GCS using C8-ceramide and UDP-glucose as substrate incubated for 1 hr by RapidFire mass spectrometry | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02078 BindingDB Entry DOI: 10.7270/Q2KW5KZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ceramide glucosyltransferase (Homo sapiens (Human)) | BDBM50585893![]() (CHEMBL5078078) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 7.60 | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of GCS in GBA mutant human fibroblasts assessed as reduction in glucosylceramide level incubated for 4 days by RapdiFire-MS/MS analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02078 BindingDB Entry DOI: 10.7270/Q2KW5KZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50585893![]() (CHEMBL5078078) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human SERT | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02078 BindingDB Entry DOI: 10.7270/Q2KW5KZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ceramide glucosyltransferase (Mus musculus) | BDBM50585893![]() (CHEMBL5078078) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of mouse GCS using C8-ceramide and UDP-glucose as substrate incubated for 1 hr by RapidFire mass spectrometry | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02078 BindingDB Entry DOI: 10.7270/Q2KW5KZB | |||||||||||
More data for this Ligand-Target Pair |