BDBM50196069 CHEMBL3965313
SMILES: [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)ccc1O
InChI Key: InChIKey=FBMAHDGTCDISLJ-LWILDLIXSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50196069 (CHEMBL3965313) | PDB MMDB NCI pathway 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 | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Medical and Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ... | J Nat Prod 79: 1842-7 (2016) Article DOI: 10.1021/acs.jnatprod.6b00367 BindingDB Entry DOI: 10.7270/Q20V8FRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sterol O-acyltransferase 1 (Cricetulus griseus) | BDBM50196069 (CHEMBL3965313) | PDB MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Inhibition of SOAT1 in CHO cell microsomal fraction using [1-14C]oleoyl-CoA as substrate measured after 5 mins by TLC based method | Bioorg Med Chem Lett 29: 2283-2285 (2019) Article DOI: 10.1016/j.bmcl.2019.06.026 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sterol O-acyltransferase 1 (Chlorocebus aethiops) | BDBM50196069 (CHEMBL3965313) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Inhibition of African green monkey SOAT1 expressed in CHO cells using [1-14C]oleic acid incubated for 6 hrs by TLC based method | Bioorg Med Chem Lett 29: 2283-2285 (2019) Article DOI: 10.1016/j.bmcl.2019.06.026 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sterol O-acyltransferase 2 (Chlorocebus aethiops) | BDBM50196069 (CHEMBL3965313) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Inhibition of African green monkey SOAT2 expressed in CHO cells using [1-14C]oleic acid incubated for 6 hrs by TLC based method | Bioorg Med Chem Lett 29: 2283-2285 (2019) Article DOI: 10.1016/j.bmcl.2019.06.026 | |||||||||||
More data for this Ligand-Target Pair |