BDBM50180639 CHEMBL3818923

SMILES: CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cc(Cl)nc4ccccc34)cc12

InChI Key: InChIKey=MZBFYCUATVKWIH-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 = 50180639   

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))	BDBM50180639 (CHEMBL3818923) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cc(Cl)nc4ccccc34)cc12 Show InChI InChI=1S/C24H27ClN4O2S/c1-15(2)11-20-18-14-29(13-16-12-21(25)26-19-8-5-4-7-17(16)19)24(32-10-6-9-30)22(18)23(31)28(3)27-20/h4-5,7-8,12,14-15,30H,6,9-11,13H2,1-3H3	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	60	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