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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM494821'   
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


(Homo sapiens (Human))
BDBM494821
PNG
((2R)-N-{2-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa...)
Show SMILES OC[C@@H](O)C(=O)NCCSc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
Show InChI InChI=1S/C16H18FN5O5S/c17-9-2-1-8-5-11(10(8)6-9)19-14(20-26)13-16(22-27-21-13)28-4-3-18-15(25)12(24)7-23/h1-2,6,11-12,23-24,26H,3-5,7H2,(H,18,25)(H,19,20)/t11-,12+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 34.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair