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PDB code 4U72

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Indoleamine 2,3-dioxygenase 1

  (402/403 > 99%)
(Homo sapiens (Human))
BDBM50126142
PNG
(4-Phenylimidazole | CHEMBL14145 | US11053207, Comp...)
Show SMILES c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
PDB
MMDB

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CHEMBL
MCE
PC cid
PC sid
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PDB
Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



School of Pharmacy, Fudan University, Shanghai 201203, China.

Curated by ChEMBL


Assay Description
Inhibition of human IDO expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of kynurenine production using L-tryptophan as substrate...


Bioorg Med Chem 25: 3780-3791 (2017)


Article DOI: 10.1016/j.bmc.2017.05.017
BindingDB Entry DOI: 10.7270/Q2QJ7KQR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1

  (402/403 > 99%)
(Homo sapiens (Human))
BDBM50126142
PNG
(4-Phenylimidazole | CHEMBL14145 | US11053207, Comp...)
Show SMILES c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin)


J Med Chem 58: 8762-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00461
BindingDB Entry DOI: 10.7270/Q2C82C3F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output