BDBM345315 2-([1-[(2-methoxyphenyl)methyl]-5-[3-(2- methylpropoxy)phenyl]-1H-pyrazol-3- yl]methoxy)-2-methylpropanoic acid LC-MS (ES, m/z): 453 1H-NMR (400 MHz, MeOD) $#948; 0.97 (6 H, d), 1.53 (6 H, s), 1.97 (1 H, dp), 3.48 (2 H, d), 3.78 (3 H, s), 4.58 (2 H, s), 5.31 (2 H, s), 6.52 (1 H, s), 6.67-6.74 (1 H, m), 6.76- 6.82 (1 H, m), 6.85-7.00 (4 H, m), 7.22- 7.33 (2 H, m).::US10202350, Example 61::US10214492, Example 61
SMILES: COc1ccccc1Cn1nc(COC(C)(C)C(O)=O)cc1-c1cccc(OCC(C)C)c1
InChI Key: InChIKey=AIFPDSKICGNNQE-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Monocarboxylate transporter 4 (Homo sapiens (Human)) | BDBM345315 (2-([1-[(2-methoxyphenyl)methyl]-5-[3-(2- methylpr...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Vettore, LLC US Patent | Assay Description MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ... | US Patent US10202350 (2019) BindingDB Entry DOI: 10.7270/Q20K2BPB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM345315 (2-([1-[(2-methoxyphenyl)methyl]-5-[3-(2- methylpr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vettore, LLC US Patent | Assay Description MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those... | US Patent US10214492 (2019) BindingDB Entry DOI: 10.7270/Q2Q81GC0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 4 (Homo sapiens (Human)) | BDBM345315 (2-([1-[(2-methoxyphenyl)methyl]-5-[3-(2- methylpr...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Vettore, LLC US Patent | Assay Description MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ... | US Patent US10214492 (2019) BindingDB Entry DOI: 10.7270/Q2Q81GC0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Malignant T-cell-amplified sequence 1 (Homo sapiens (human)) | BDBM345315 (2-([1-[(2-methoxyphenyl)methyl]-5-[3-(2- methylpr...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vettore, LLC US Patent | Assay Description MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those... | US Patent US10202350 (2019) BindingDB Entry DOI: 10.7270/Q20K2BPB | |||||||||||
More data for this Ligand-Target Pair |