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BDBM50030800 CHEMBL3342393

SMILES: Cc1ccc(cc1)-c1csc2ncc(C(=O)NCCc3cccc(Cl)c3)n12

InChI Key: InChIKey=XLEXBEMTJAGGPY-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50030800   
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))
BDBM50030800
PNG
(CHEMBL3342393)
Show SMILES Cc1ccc(cc1)-c1csc2ncc(C(=O)NCCc3cccc(Cl)c3)n12
Show InChI InChI=1S/C21H18ClN3OS/c1-14-5-7-16(8-6-14)19-13-27-21-24-12-18(25(19)21)20(26)23-10-9-15-3-2-4-17(22)11-15/h2-8,11-13H,9-10H2,1H3,(H,23,26)
PDB
MMDB

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PC sid
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PDB
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 assessed as reduction in convertion of N-formylkynurenine to kynurenine incubated for 30 mins


ACS Med Chem Lett 5: 1119-23 (2014)


Article DOI: 10.1021/ml500247w
BindingDB Entry DOI: 10.7270/Q2GM88W5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)