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BDBM50046109 CHEMBL3310845

SMILES: Cc1cccc(NNS(=O)(=O)c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c1

InChI Key: InChIKey=RGOWDMHNPUZZHW-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50046109   
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 1


(Homo sapiens (Human))
BDBM50046109
PNG
(CHEMBL3310845)
Show SMILES Cc1cccc(NNS(=O)(=O)c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c1
Show InChI InChI=1S/C19H16F3N3O3S/c1-13-3-2-4-15(11-13)24-25-29(26,27)17-8-6-16(7-9-17)28-18-10-5-14(12-23-18)19(20,21)22/h2-12,24-25H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 296n/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
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046109
PNG
(CHEMBL3310845)
Show SMILES Cc1cccc(NNS(=O)(=O)c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c1
Show InChI InChI=1S/C19H16F3N3O3S/c1-13-3-2-4-15(11-13)24-25-29(26,27)17-8-6-16(7-9-17)28-18-10-5-14(12-23-18)19(20,21)22/h2-12,24-25H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/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