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BDBM370452 2-(7-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1- cyclohexylethanol::US10233190, Example 1359

SMILES: OC(CC1c2cc(Cl)ccc2-c2cncn12)C1CCCCC1

InChI Key: InChIKey=HQWXVMXYJOSZSP-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 370452   
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))
BDBM370452
PNG
(2-(7-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1- cyc...)
Show SMILES OC(CC1c2cc(Cl)ccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H21ClN2O/c19-13-6-7-14-15(8-13)16(21-11-20-10-17(14)21)9-18(22)12-4-2-1-3-5-12/h6-8,10-12,16,18,22H,1-5,9H2
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



NewLink Genetics Corporation

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)


BindingDB Entry DOI: 10.7270/Q26H4KQM
More data for this
Ligand-Target Pair