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BDBM50127158 CHEMBL3628593

SMILES: OC(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1

InChI Key: InChIKey=ICTPXWSKRLVYHO-UHFFFAOYSA-N

Data: 2 IC50

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   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 = 50127158   
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))
BDBM50127158
PNG
(CHEMBL3628593)
Show SMILES OC(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Show InChI InChI=1S/C18H11N3O4/c22-16-12-6-1-2-7-13(12)17(23)15-14(16)19-20-21(15)9-10-4-3-5-11(8-10)18(24)25/h1-8H,9H2,(H,24,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.24E+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))
BDBM50127158
PNG
(CHEMBL3628593)
Show SMILES OC(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Show InChI InChI=1S/C18H11N3O4/c22-16-12-6-1-2-7-13(12)17(23)15-14(16)19-20-21(15)9-10-4-3-5-11(8-10)18(24)25/h1-8H,9H2,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 167n/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