BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM494840'   
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))
BDBM494840
PNG
(N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3,5- trien-7...)
Show SMILES CS(=O)(=O)CCC(O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
Show InChI InChI=1S/C16H20FN5O5S/c1-28(25,26)5-4-11(23)8-18-15-14(21-27-22-15)16(20-24)19-13-6-9-2-3-10(17)7-12(9)13/h2-3,7,11,13,23-24H,4-6,8H2,1H3,(H,18,22)(H,19,20)/t11?,13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 43.3n/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
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM494840
PNG
(N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3,5- trien-7...)
Show SMILES CS(=O)(=O)CCC(O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
Show InChI InChI=1S/C16H20FN5O5S/c1-28(25,26)5-4-11(23)8-18-15-14(21-27-22-15)16(20-24)19-13-6-9-2-3-10(17)7-12(9)13/h2-3,7,11,13,23-24H,4-6,8H2,1H3,(H,18,22)(H,19,20)/t11?,13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 49.3n/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