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PubMed code 22873824

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
BDBM50421038
PNG
(CHEMBL2087614)
Show SMILES C[C@]12CC[C@H]3[C@@](C)(CC[C@@H]4[C@]3(C)CC[C@@H]3O[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]43C)[C@@H]1Cc1c2c(ccc1O)C(O)C(O)=O |r|
Show InChI InChI=1S/C38H56O5/c1-33(2)15-8-16-38(7)25(33)11-18-36(5)27-12-17-35(4)26(34(27,3)20-14-29(36)43-38)13-19-37(6)28(35)21-23-24(39)10-9-22(30(23)37)31(40)32(41)42/h9-10,25-29,31,39-40H,8,11-21H2,1-7H3,(H,41,42)/t25-,26+,27+,28-,29-,31?,34+,35+,36-,37-,38-/m0/s1
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO expressed in Escherichia coli using L-tryptophan as substrate after 60 mins by spectrophotometry


J Nat Prod 75: 1451-8 (2012)


Article DOI: 10.1021/np300345j
BindingDB Entry DOI: 10.7270/Q2SQ91PS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50421039
PNG
(CHEMBL2087615)
Show SMILES C[C@@H]1CCC=C(C)[C@@]1(C)CC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](Cc5c4c(ccc5O)C(O)C(O)=O)[C@]3(C)CC[C@@H]12 |r,t:4|
Show InChI InChI=1S/C38H56O5/c1-22-9-8-10-23(2)34(22,3)19-20-37(6)28-13-16-36(5)27(35(28,4)18-15-30(37)40)14-17-38(7)29(36)21-25-26(39)12-11-24(31(25)38)32(41)33(42)43/h9,11-12,23,27-30,32,39-41H,8,10,13-21H2,1-7H3,(H,42,43)/t23-,27-,28-,29+,30+,32?,34-,35-,36-,37+,38+/m1/s1
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PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO expressed in Escherichia coli using L-tryptophan as substrate after 60 mins by spectrophotometry


J Nat Prod 75: 1451-8 (2012)


Article DOI: 10.1021/np300345j
BindingDB Entry DOI: 10.7270/Q2SQ91PS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50421041
PNG
(CHEMBL2087617)
Show SMILES C[C@@H]1CCC=C(C)[C@@]1(C)CC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](Cc5c4c(C=O)ccc5O)[C@]3(C)CC[C@@H]12 |r,t:4|
Show InChI InChI=1S/C37H54O3/c1-23-9-8-10-24(2)33(23,3)19-20-36(6)29-13-16-35(5)28(34(29,4)18-15-31(36)40)14-17-37(7)30(35)21-26-27(39)12-11-25(22-38)32(26)37/h9,11-12,22,24,28-31,39-40H,8,10,13-21H2,1-7H3/t24-,28-,29-,30+,31+,33-,34-,35-,36+,37+/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO expressed in Escherichia coli using L-tryptophan as substrate after 60 mins by spectrophotometry


J Nat Prod 75: 1451-8 (2012)


Article DOI: 10.1021/np300345j
BindingDB Entry DOI: 10.7270/Q2SQ91PS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50421040
PNG
(CHEMBL2087616)
Show SMILES C[C@]12CC[C@H]3[C@@](C)(CC[C@@H]4[C@]3(C)CC[C@@H]3O[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]43C)[C@@H]1Cc1c2c(C=O)ccc1O |r|
Show InChI InChI=1S/C37H54O3/c1-32(2)15-8-16-37(7)26(32)11-18-35(5)28-12-17-34(4)27(33(28,3)20-14-30(35)40-37)13-19-36(6)29(34)21-24-25(39)10-9-23(22-38)31(24)36/h9-10,22,26-30,39H,8,11-21H2,1-7H3/t26-,27+,28+,29-,30-,33+,34+,35-,36-,37-/m0/s1
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PC cid
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PubMed
n/an/a 5.30E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO expressed in Escherichia coli using L-tryptophan as substrate after 60 mins by spectrophotometry


J Nat Prod 75: 1451-8 (2012)


Article DOI: 10.1021/np300345j
BindingDB Entry DOI: 10.7270/Q2SQ91PS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%