BDBM50394814 CHEMBL2163836
SMILES: C[C@@H]1CN(CCN1)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl
InChI Key: InChIKey=KOEVIKUFICKWKV-SZNDQCEHSA-N
Data: 2 IC50
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)) | BDBM50394814 (CHEMBL2163836) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis Curated by ChEMBL | Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis | J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50394814 (CHEMBL2163836) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis Curated by ChEMBL | Assay Description Inhibition of human CYP3A4 using testosterone as substrate after 45 mins | J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF | |||||||||||
More data for this Ligand-Target Pair |