BDBM50092073 CHEMBL3582418::US9296728, 13

SMILES: CCCN(CCC)c1ccc(\C=C(/C#N)C(O)=O)c(OC)c1

InChI Key: InChIKey=QHCGTIDBZVWMRI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50092073   

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 1 (Rattus norvegicus (Rat))	BDBM50092073 (CHEMBL3582418 | US9296728, 13) Show SMILES CCCN(CCC)c1ccc(\C=C(/C#N)C(O)=O)c(OC)c1 Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)14-8-11-10(5-6-13(23-2)15(11)24-14)17(22)20-12-4-3-7-19-16(12)18/h3-8H,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Medical School Duluth Curated by ChEMBL					Assay Description Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay				ACS Med Chem Lett 6: 558-61 (2015) Article DOI: 10.1021/acsmedchemlett.5b00049 BindingDB Entry DOI: 10.7270/Q2ZC84MV
					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (Rattus norvegicus (Rat))	BDBM50092073 (CHEMBL3582418 | US9296728, 13) Show SMILES CCCN(CCC)c1ccc(\C=C(/C#N)C(O)=O)c(OC)c1 Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)14-8-11-10(5-6-13(23-2)15(11)24-14)17(22)20-12-4-3-7-19-16(12)18/h3-8H,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.5	n/a	n/a	n/a	n/a	7.43	37
Regents of the University of Minnesota US Patent					Assay Description The entire lactate uptake studies for the inhibition of MCT1 were carried out on RBE4 (Rat Brain Endothelial 4) cells. The expression of MCT1 on thes...				US Patent US9296728 (2016) BindingDB Entry DOI: 10.7270/Q2KH0M5R
					More data for this Ligand-Target Pair