BDBM50280066 (Z)-6-{(2S,4S,5R)-2-[1-Methyl-1-(4-methyl-2-nitro-phenoxy)-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid::CHEMBL279847
SMILES: Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2cccnc2)c(c1)[N+]([O-])=O
InChI Key: InChIKey=VGBBXLWOWUXXFE-GWLGBLMRSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bile salt export pump (Homo sapiens (Human)) | BDBM50280066 ((Z)-6-{(2S,4S,5R)-2-[1-Methyl-1-(4-methyl-2-nitro-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human)) | BDBM50280066 ((Z)-6-{(2S,4S,5R)-2-[1-Methyl-1-(4-methyl-2-nitro-...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of human Thromboxane A2 synthase | Bioorg Med Chem Lett 2: 1181-1186 (1992) Article DOI: 10.1016/S0960-894X(00)80210-3 BindingDB Entry DOI: 10.7270/Q2SJ1KHD | |||||||||||
More data for this Ligand-Target Pair |