Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Monocarboxylate transporter 1' and Ligand = 'BDBM50180644'   

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 1 (Homo sapiens (Human))	BDBM50180644 (CHEMBL3818991) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccnc(NCCCCCNC(=O)[C@@H](N)CCC(N)=O)c3)cc12 |r| Show InChI InChI=1S/C30H46N8O4S/c1-20(2)16-24-22-19-38(30(43-15-7-14-39)27(22)29(42)37(3)36-24)18-21-10-13-34-26(17-21)33-11-5-4-6-12-35-28(41)23(31)8-9-25(32)40/h10,13,17,19-20,23,39H,4-9,11-12,14-16,18,31H2,1-3H3,(H2,32,40)(H,33,34)(H,35,41)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	500	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
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