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SMILES: [H][C@@]1(CC[C@@]2(COc3ncc(cc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1

InChI Key:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50549545   
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))
BDBM50549545
PNG
(CHEMBL4743724)
Show SMILES [H][C@@]1(CC[C@@]2(COc3ncc(cc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(57.96,-4.25,;57.91,-5.87,;59.24,-5.09,;60.58,-5.86,;60.58,-7.4,;61.86,-6.56,;63.05,-7.53,;62.5,-8.96,;63.19,-10.32,;62.36,-11.6,;60.83,-11.51,;60.14,-10.15,;60.98,-8.87,;59.98,-12.8,;61.31,-13.56,;59.98,-14.33,;58.45,-12.72,;59.24,-8.18,;57.91,-7.41,;56.57,-5.1,;56.57,-3.57,;55.24,-5.88,;55.24,-7.42,;53.9,-5.11,;52.56,-5.89,;52.56,-7.44,;51.23,-8.22,;49.89,-7.44,;48.55,-8.22,;49.89,-5.89,;51.22,-5.13,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human SKOV3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50549545
PNG
(CHEMBL4743724)
Show SMILES [H][C@@]1(CC[C@@]2(COc3ncc(cc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(57.96,-4.25,;57.91,-5.87,;59.24,-5.09,;60.58,-5.86,;60.58,-7.4,;61.86,-6.56,;63.05,-7.53,;62.5,-8.96,;63.19,-10.32,;62.36,-11.6,;60.83,-11.51,;60.14,-10.15,;60.98,-8.87,;59.98,-12.8,;61.31,-13.56,;59.98,-14.33,;58.45,-12.72,;59.24,-8.18,;57.91,-7.41,;56.57,-5.1,;56.57,-3.57,;55.24,-5.88,;55.24,-7.42,;53.9,-5.11,;52.56,-5.89,;52.56,-7.44,;51.23,-8.22,;49.89,-7.44,;48.55,-8.22,;49.89,-5.89,;51.22,-5.13,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.84E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TDO in HEK cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B
More data for this
Ligand-Target Pair