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BDBM50287579 CHEMBL4166936

SMILES: Oc1cccc(Cn2cncc2-c2cc3cc(Br)ccc3[nH]2)c1

InChI Key: InChIKey=FPUYNFZIGIXUCA-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 = 50287579   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50287579
PNG
(CHEMBL4166936)
Show SMILES Oc1cccc(Cn2cncc2-c2cc3cc(Br)ccc3[nH]2)c1
Show InChI InChI=1S/C18H14BrN3O/c19-14-4-5-16-13(7-14)8-17(21-16)18-9-20-11-22(18)10-12-2-1-3-15(23)6-12/h1-9,11,21,23H,10H2
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 9.97E+3n/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 expressed in HEK293 cells assessed as reduction in kynurenine production after 30 mins


ACS Med Chem Lett 9: 131-136 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00488
BindingDB Entry DOI: 10.7270/Q2FR0041
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50287579
PNG
(CHEMBL4166936)
Show SMILES Oc1cccc(Cn2cncc2-c2cc3cc(Br)ccc3[nH]2)c1
Show InChI InChI=1S/C18H14BrN3O/c19-14-4-5-16-13(7-14)8-17(21-16)18-9-20-11-22(18)10-12-2-1-3-15(23)6-12/h1-9,11,21,23H,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 1 hr


ACS Med Chem Lett 9: 131-136 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00488
BindingDB Entry DOI: 10.7270/Q2FR0041
More data for this
Ligand-Target Pair