Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 476.5 BDBM356805

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM356805 (US10214492, Example 167 | US11292767, Example 167) Show SMILES Cn1ncc2cccc(-n3nc(COC(C)(C)C(O)=O)cc3-c3cccc(OCC(C)(C)C)c3)c12 Show InChI InChI=1S/C27H32N4O4/c1-26(2,3)17-34-21-11-7-9-18(13-21)23-14-20(16-35-27(4,5)25(32)33)29-31(23)22-12-8-10-19-15-28-30(6)24(19)22/h7-15H,16-17H2,1-6H3,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2862KNG
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM356805 (US10214492, Example 167 | US11292767, Example 167) Show SMILES Cn1ncc2cccc(-n3nc(COC(C)(C)C(O)=O)cc3-c3cccc(OCC(C)(C)C)c3)c12 Show InChI InChI=1S/C27H32N4O4/c1-26(2,3)17-34-21-11-7-9-18(13-21)23-14-20(16-35-27(4,5)25(32)33)29-31(23)22-12-8-10-19-15-28-30(6)24(19)22/h7-15H,16-17H2,1-6H3,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	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
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM356805 (US10214492, Example 167 | US11292767, Example 167) Show SMILES Cn1ncc2cccc(-n3nc(COC(C)(C)C(O)=O)cc3-c3cccc(OCC(C)(C)C)c3)c12 Show InChI InChI=1S/C27H32N4O4/c1-26(2,3)17-34-21-11-7-9-18(13-21)23-14-20(16-35-27(4,5)25(32)33)29-31(23)22-12-8-10-19-15-28-30(6)24(19)22/h7-15H,16-17H2,1-6H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2862KNG
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Homo sapiens (Human))	BDBM356805 (US10214492, Example 167 | US11292767, Example 167) Show SMILES Cn1ncc2cccc(-n3nc(COC(C)(C)C(O)=O)cc3-c3cccc(OCC(C)(C)C)c3)c12 Show InChI InChI=1S/C27H32N4O4/c1-26(2,3)17-34-21-11-7-9-18(13-21)23-14-20(16-35-27(4,5)25(32)33)29-31(23)22-12-8-10-19-15-28-30(6)24(19)22/h7-15H,16-17H2,1-6H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60E+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