BDBM50180637 CHEMBL3818005

SMILES: CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccnc(Cl)c3)cc12

InChI Key: InChIKey=IEEHXVUFVDOULN-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 50180637   

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 (Homo sapiens (Human))	BDBM50180637 (CHEMBL3818005) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccnc(Cl)c3)cc12 Show InChI InChI=1S/C20H25ClN4O2S/c1-13(2)9-16-15-12-25(11-14-5-6-22-17(21)10-14)20(28-8-4-7-26)18(15)19(27)24(3)23-16/h5-6,10,12-13,26H,4,7-9,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay				Medchemcomm 7: 900-905 (2016) BindingDB Entry DOI: 10.7270/Q2GB260N
					More data for this Ligand-Target Pair