new BindingDB logo
myBDB logout

BDBM50127139 CHEMBL3628553

SMILES: Cc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1

InChI Key: InChIKey=WTFXSFYJHOQTNO-UHFFFAOYSA-N

Data: 2 IC50

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 = 50127139   
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))
BDBM50127139
PNG
(CHEMBL3628553)
Show SMILES Cc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Show InChI InChI=1S/C18H13N3O2/c1-11-6-8-12(9-7-11)10-21-16-15(19-20-21)17(22)13-4-2-3-5-14(13)18(16)23/h2-9H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.77E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay


J Med Chem 58: 7807-19 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9S7K
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50127139
PNG
(CHEMBL3628553)
Show SMILES Cc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Show InChI InChI=1S/C18H13N3O2/c1-11-6-8-12(9-7-11)10-21-16-15(19-20-21)17(22)13-4-2-3-5-14(13)18(16)23/h2-9H,10H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay


J Med Chem 58: 7807-19 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9S7K
More data for this
Ligand-Target Pair