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SMILES: [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1

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 6 hits for monomerid = 50550037   
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))
BDBM50550037
PNG
(CHEMBL4755937)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,18.21,wD:1.0,(5,-8.36,;6.52,-8.62,;5.18,-9.39,;5.18,-10.94,;6.52,-11.71,;7.85,-10.94,;7.85,-9.39,;6.52,-13.26,;5.18,-14.03,;5.18,-15.56,;6.52,-16.34,;7.85,-15.57,;9.18,-16.34,;10.52,-15.57,;10.52,-14.02,;11.86,-13.24,;9.18,-13.26,;7.85,-14.03,;6.52,-7.07,;5.18,-6.31,;7.85,-6.31,;7.85,-4.76,;9.32,-4.28,;9.94,-2.87,;11.47,-2.71,;12.37,-3.96,;13.92,-3.78,;11.75,-5.36,;10.22,-5.53,;9.31,-6.77,)|
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n/an/a 28n/an/an/an/an/an/a


TBA



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


(Mus musculus)
BDBM50550037
PNG
(CHEMBL4755937)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,18.21,wD:1.0,(5,-8.36,;6.52,-8.62,;5.18,-9.39,;5.18,-10.94,;6.52,-11.71,;7.85,-10.94,;7.85,-9.39,;6.52,-13.26,;5.18,-14.03,;5.18,-15.56,;6.52,-16.34,;7.85,-15.57,;9.18,-16.34,;10.52,-15.57,;10.52,-14.02,;11.86,-13.24,;9.18,-13.26,;7.85,-14.03,;6.52,-7.07,;5.18,-6.31,;7.85,-6.31,;7.85,-4.76,;9.32,-4.28,;9.94,-2.87,;11.47,-2.71,;12.37,-3.96,;13.92,-3.78,;11.75,-5.36,;10.22,-5.53,;9.31,-6.77,)|
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Citation and Details
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50550037
PNG
(CHEMBL4755937)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,18.21,wD:1.0,(5,-8.36,;6.52,-8.62,;5.18,-9.39,;5.18,-10.94,;6.52,-11.71,;7.85,-10.94,;7.85,-9.39,;6.52,-13.26,;5.18,-14.03,;5.18,-15.56,;6.52,-16.34,;7.85,-15.57,;9.18,-16.34,;10.52,-15.57,;10.52,-14.02,;11.86,-13.24,;9.18,-13.26,;7.85,-14.03,;6.52,-7.07,;5.18,-6.31,;7.85,-6.31,;7.85,-4.76,;9.32,-4.28,;9.94,-2.87,;11.47,-2.71,;12.37,-3.96,;13.92,-3.78,;11.75,-5.36,;10.22,-5.53,;9.31,-6.77,)|
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TBA



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


(Homo sapiens (Human))
BDBM50550037
PNG
(CHEMBL4755937)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,18.21,wD:1.0,(5,-8.36,;6.52,-8.62,;5.18,-9.39,;5.18,-10.94,;6.52,-11.71,;7.85,-10.94,;7.85,-9.39,;6.52,-13.26,;5.18,-14.03,;5.18,-15.56,;6.52,-16.34,;7.85,-15.57,;9.18,-16.34,;10.52,-15.57,;10.52,-14.02,;11.86,-13.24,;9.18,-13.26,;7.85,-14.03,;6.52,-7.07,;5.18,-6.31,;7.85,-6.31,;7.85,-4.76,;9.32,-4.28,;9.94,-2.87,;11.47,-2.71,;12.37,-3.96,;13.92,-3.78,;11.75,-5.36,;10.22,-5.53,;9.31,-6.77,)|
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PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a


TBA



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


(Mus musculus)
BDBM50550037
PNG
(CHEMBL4755937)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,18.21,wD:1.0,(5,-8.36,;6.52,-8.62,;5.18,-9.39,;5.18,-10.94,;6.52,-11.71,;7.85,-10.94,;7.85,-9.39,;6.52,-13.26,;5.18,-14.03,;5.18,-15.56,;6.52,-16.34,;7.85,-15.57,;9.18,-16.34,;10.52,-15.57,;10.52,-14.02,;11.86,-13.24,;9.18,-13.26,;7.85,-14.03,;6.52,-7.07,;5.18,-6.31,;7.85,-6.31,;7.85,-4.76,;9.32,-4.28,;9.94,-2.87,;11.47,-2.71,;12.37,-3.96,;13.92,-3.78,;11.75,-5.36,;10.22,-5.53,;9.31,-6.77,)|
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TBA



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


(Homo sapiens (Human))
BDBM50550037
PNG
(CHEMBL4755937)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,18.21,wD:1.0,(5,-8.36,;6.52,-8.62,;5.18,-9.39,;5.18,-10.94,;6.52,-11.71,;7.85,-10.94,;7.85,-9.39,;6.52,-13.26,;5.18,-14.03,;5.18,-15.56,;6.52,-16.34,;7.85,-15.57,;9.18,-16.34,;10.52,-15.57,;10.52,-14.02,;11.86,-13.24,;9.18,-13.26,;7.85,-14.03,;6.52,-7.07,;5.18,-6.31,;7.85,-6.31,;7.85,-4.76,;9.32,-4.28,;9.94,-2.87,;11.47,-2.71,;12.37,-3.96,;13.92,-3.78,;11.75,-5.36,;10.22,-5.53,;9.31,-6.77,)|
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PC cid
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n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair