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BDBM50203251 CHEMBL3909806

SMILES: NC1=C(C#N)C(c2ccc(F)c(Cl)c2)c2c(N1)[nH]c(=O)[nH]c2=O

InChI Key: InChIKey=KQDBYLZMCGVLEY-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 50203251   
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


(Homo sapiens (Human))
BDBM50203251
PNG
(CHEMBL3909806)
Show SMILES NC1=C(C#N)C(c2ccc(F)c(Cl)c2)c2c(N1)[nH]c(=O)[nH]c2=O |c:1|
Show InChI InChI=1S/C14H9ClFN5O2/c15-7-3-5(1-2-8(7)16)9-6(4-17)11(18)19-12-10(9)13(22)21-14(23)20-12/h1-3,9H,18H2,(H3,19,20,21,22,23)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured aft...


ACS Med Chem Lett 7: 1167-1172 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00359
BindingDB Entry DOI: 10.7270/Q2TF009K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50203251
PNG
(CHEMBL3909806)
Show SMILES NC1=C(C#N)C(c2ccc(F)c(Cl)c2)c2c(N1)[nH]c(=O)[nH]c2=O |c:1|
Show InChI InChI=1S/C14H9ClFN5O2/c15-7-3-5(1-2-8(7)16)9-6(4-17)11(18)19-12-10(9)13(22)21-14(23)20-12/h1-3,9H,18H2,(H3,19,20,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 879n/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured aft...


ACS Med Chem Lett 7: 1167-1172 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00359
BindingDB Entry DOI: 10.7270/Q2TF009K
More data for this
Ligand-Target Pair