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BDBM50325552 CHEMBL1224313::S-(4-Fluorobenzyl)isothiourea hydrochloride

SMILES: NC(=N)SCc1ccc(F)cc1

InChI Key: InChIKey=JRHCKECGYOWIIM-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50325552   
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
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50325552
PNG
(CHEMBL1224313 | S-(4-Fluorobenzyl)isothiourea hydr...)
Show SMILES NC(=N)SCc1ccc(F)cc1
Show InChI InChI=1S/C8H9FN2S/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of indoleamine-2,3-dioxygenase in human A431 cells assessed as inhibition of IFN-gamma-stimulated kynurenine production


Bioorg Med Chem Lett 20: 5126-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.025
BindingDB Entry DOI: 10.7270/Q2862HFZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50325552
PNG
(CHEMBL1224313 | S-(4-Fluorobenzyl)isothiourea hydr...)
Show SMILES NC(=N)SCc1ccc(F)cc1
Show InChI InChI=1S/C8H9FN2S/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of indoleamine-2,3-dioxygenase


Bioorg Med Chem Lett 20: 5126-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.025
BindingDB Entry DOI: 10.7270/Q2862HFZ
More data for this
Ligand-Target Pair