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SMILES: [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](CC)C(=O)Nc1ccc(Cl)cn1

InChI Key:

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 3 hits for monomerid = 50549537   
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))
BDBM50549537
PNG
(CHEMBL4761104)
Show SMILES [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](CC)C(=O)Nc1ccc(Cl)cn1 |r,wU:4.4,19.22,wD:1.0,(11.99,-3.45,;11.89,-5.07,;13.22,-4.29,;14.57,-5.06,;14.56,-6.6,;15.85,-5.77,;17.05,-6.74,;16.49,-8.17,;17.18,-9.53,;16.35,-10.81,;14.81,-10.73,;14.12,-9.36,;14.96,-8.08,;17.05,-12.18,;18.38,-11.4,;18.39,-12.94,;16.21,-13.48,;13.22,-7.38,;11.89,-6.61,;10.55,-4.3,;10.54,-2.76,;11.87,-1.99,;9.21,-5.08,;9.21,-6.62,;7.86,-4.31,;6.53,-5.09,;5.18,-4.32,;3.84,-5.09,;3.84,-6.65,;2.5,-7.42,;5.19,-7.42,;6.53,-6.65,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 320n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50549537
PNG
(CHEMBL4761104)
Show SMILES [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](CC)C(=O)Nc1ccc(Cl)cn1 |r,wU:4.4,19.22,wD:1.0,(11.99,-3.45,;11.89,-5.07,;13.22,-4.29,;14.57,-5.06,;14.56,-6.6,;15.85,-5.77,;17.05,-6.74,;16.49,-8.17,;17.18,-9.53,;16.35,-10.81,;14.81,-10.73,;14.12,-9.36,;14.96,-8.08,;17.05,-12.18,;18.38,-11.4,;18.39,-12.94,;16.21,-13.48,;13.22,-7.38,;11.89,-6.61,;10.55,-4.3,;10.54,-2.76,;11.87,-1.99,;9.21,-5.08,;9.21,-6.62,;7.86,-4.31,;6.53,-5.09,;5.18,-4.32,;3.84,-5.09,;3.84,-6.65,;2.5,-7.42,;5.19,-7.42,;6.53,-6.65,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 7n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50549537
PNG
(CHEMBL4761104)
Show SMILES [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](CC)C(=O)Nc1ccc(Cl)cn1 |r,wU:4.4,19.22,wD:1.0,(11.99,-3.45,;11.89,-5.07,;13.22,-4.29,;14.57,-5.06,;14.56,-6.6,;15.85,-5.77,;17.05,-6.74,;16.49,-8.17,;17.18,-9.53,;16.35,-10.81,;14.81,-10.73,;14.12,-9.36,;14.96,-8.08,;17.05,-12.18,;18.38,-11.4,;18.39,-12.94,;16.21,-13.48,;13.22,-7.38,;11.89,-6.61,;10.55,-4.3,;10.54,-2.76,;11.87,-1.99,;9.21,-5.08,;9.21,-6.62,;7.86,-4.31,;6.53,-5.09,;5.18,-4.32,;3.84,-5.09,;3.84,-6.65,;2.5,-7.42,;5.19,-7.42,;6.53,-6.65,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.64E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair