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BDBM50180642 CHEMBL3818476

SMILES: CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccc(NCCCCCN)nc3)cc12

InChI Key: InChIKey=BGTLVURPDILZRC-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50180642   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Monocarboxylate transporter 1


(Homo sapiens (Human))		BDBM50180642
PNG
(CHEMBL3818476)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccc(NCCCCCN)nc3)cc12
Show InChI InChI=1S/C25H38N6O2S/c1-18(2)14-21-20-17-31(25(34-13-7-12-32)23(20)24(33)30(3)29-21)16-19-8-9-22(28-15-19)27-11-6-4-5-10-26/h8-9,15,17-18,32H,4-7,10-14,16,26H2,1-3H3,(H,27,28)
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Similars
PubMed
n/an/an/an/a 420n/an/an/an/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