BDBM50180649 CHEMBL3818851

SMILES: CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccc(C#CCCCNC(=O)[C@@H](N)CCC(N)=O)c4ccccc34)cc12

InChI Key: InChIKey=QEZLOEPRFAXEHQ-LJAQVGFWSA-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 = 50180649   

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))	BDBM50180649 (CHEMBL3818851) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccc(C#CCCCNC(=O)[C@@H](N)CCC(N)=O)c4ccccc34)cc12 |r| Show InChI InChI=1S/C35H44N6O4S/c1-23(2)20-30-28-22-41(35(46-19-9-18-42)32(28)34(45)40(3)39-30)21-25-14-13-24(26-11-6-7-12-27(25)26)10-5-4-8-17-38-33(44)29(36)15-16-31(37)43/h6-7,11-14,22-23,29,42H,4,8-9,15-21,36H2,1-3H3,(H2,37,43)(H,38,44)/t29-/m0/s1	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	4	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