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BDBM50180643 CHEMBL3818311

SMILES: CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cnc(NCCCCCN)c4ccccc34)cc12

InChI Key: InChIKey=UKBMJQCYJYSUFI-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50180643   
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))		BDBM50180643
PNG
(CHEMBL3818311)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cnc(NCCCCCN)c4ccccc34)cc12
Show InChI InChI=1S/C29H40N6O2S/c1-20(2)16-25-24-19-35(29(38-15-9-14-36)26(24)28(37)34(3)33-25)18-21-17-32-27(31-13-8-4-7-12-30)23-11-6-5-10-22(21)23/h5-6,10-11,17,19-20,36H,4,7-9,12-16,18,30H2,1-3H3,(H,31,32)
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Similars
PubMed
n/an/an/an/a 0.800n/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