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BDBM50046153 CHEMBL3310851

SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=SIHGQXZVZBAKAC-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50046153   
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))
BDBM50046153
PNG
(CHEMBL3310851)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H14F3N3O3S/c1-10(22)19-12-6-8-14(9-7-12)25(23,24)21-20-13-4-2-11(3-5-13)15(16,17)18/h2-9,20-21H,1H3,(H,19,22)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.61E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50046153
PNG
(CHEMBL3310851)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H14F3N3O3S/c1-10(22)19-12-6-8-14(9-7-12)25(23,24)21-20-13-4-2-11(3-5-13)15(16,17)18/h2-9,20-21H,1H3,(H,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 181n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair