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PubMed code 17067170

Compile data set for download or QSAR
Found 9 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))
BDBM50241709
PNG
(CHEMBL465020 | annulin B)
Show SMILES CCc1c(C)cc2c(O)c3c(OC(C)(C(=O)OC)C(=O)C3(C)C)c(O)c2c1O
Show InChI InChI=1S/C21H24O7/c1-7-10-9(2)8-11-12(14(10)22)16(24)17-13(15(11)23)20(3,4)18(25)21(5,28-17)19(26)27-6/h8,22-24H,7H2,1-6H3
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Article
PubMed
120n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


J Nat Prod 69: 1496-9 (2006)


Article DOI: 10.1021/np060111x
BindingDB Entry DOI: 10.7270/Q27W6BZQ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50241707
PNG
(CHEMBL518688 | annulin C | methyl 7-ethyl-8-hydrox...)
Show SMILES CCc1c(C)cc2C(=O)C3=C(C(=O)c2c1O)C(OC)(OC3(C)C)C(=O)OC |c:9|
Show InChI InChI=1S/C20H22O7/c1-7-10-9(2)8-11-12(15(10)21)17(23)14-13(16(11)22)19(3,4)27-20(14,26-6)18(24)25-5/h8,21H,7H2,1-6H3
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Article
PubMed
140n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


J Nat Prod 69: 1496-9 (2006)


Article DOI: 10.1021/np060111x
BindingDB Entry DOI: 10.7270/Q27W6BZQ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50241708
PNG
(CHEMBL465019 | annulin A)
Show SMILES CCc1c(C)cc2C(=O)C3=C(C(=O)c2c1O)C(O)(OC3(C)C)C(=O)OC |c:9|
Show InChI InChI=1S/C19H20O7/c1-6-9-8(2)7-10-11(14(9)20)16(22)13-12(15(10)21)18(3,4)26-19(13,24)17(23)25-5/h7,20,24H,6H2,1-5H3
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Article
PubMed
690n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


J Nat Prod 69: 1496-9 (2006)


Article DOI: 10.1021/np060111x
BindingDB Entry DOI: 10.7270/Q27W6BZQ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50241725
PNG
(CHEMBL505049 | garveatin C)
Show SMILES COc1c(C(C)=O)c(C)cc2cc3c(C(=O)C(C)(C)C(=O)C3(C)C)c(O)c12
Show InChI InChI=1S/C22H24O5/c1-10-8-12-9-13-16(19(25)22(5,6)20(26)21(13,3)4)17(24)15(12)18(27-7)14(10)11(2)23/h8-9,24H,1-7H3
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Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


J Nat Prod 69: 1496-9 (2006)


Article DOI: 10.1021/np060111x
BindingDB Entry DOI: 10.7270/Q27W6BZQ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50241710
PNG
(2-hydroxygarveatin E | CHEMBL465021)
Show SMILES Cc1c(O)c2cc3c(C(=O)C(C)(O)C(=O)C3(C)C)c(O)c2c(O)c1C=C
Show InChI InChI=1S/C20H20O6/c1-6-9-8(2)14(21)10-7-11-13(16(23)12(10)15(9)22)17(24)20(5,26)18(25)19(11,3)4/h6-7,21-23,26H,1H2,2-5H3
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PubMed
1.40E+3n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


J Nat Prod 69: 1496-9 (2006)


Article DOI: 10.1021/np060111x
BindingDB Entry DOI: 10.7270/Q27W6BZQ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50241726
PNG
(2-hydroxygarvin A | CHEMBL465623)
Show SMILES CCCc1c(C(=O)OC)c(OC)cc2cc3c(C(=O)C(C)(O)C(=O)C3(C)C)c(O)c12
Show InChI InChI=1S/C23H26O7/c1-7-8-12-15-11(10-14(29-5)16(12)20(26)30-6)9-13-17(18(15)24)19(25)23(4,28)21(27)22(13,2)3/h9-10,24,28H,7-8H2,1-6H3
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PubMed
2.30E+3n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


J Nat Prod 69: 1496-9 (2006)


Article DOI: 10.1021/np060111x
BindingDB Entry DOI: 10.7270/Q27W6BZQ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50241723
PNG
(CHEMBL513118 | garveatin E)
Show SMILES CC1C(=O)c2c(O)c3c(O)c(C=C)c(C)c(O)c3cc2C(C)(C)C1=O
Show InChI InChI=1S/C20H20O5/c1-6-10-8(2)15(21)11-7-12-14(18(24)13(11)17(10)23)16(22)9(3)19(25)20(12,4)5/h6-7,9,21,23-24H,1H2,2-5H3
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Article
PubMed
3.10E+3n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


J Nat Prod 69: 1496-9 (2006)


Article DOI: 10.1021/np060111x
BindingDB Entry DOI: 10.7270/Q27W6BZQ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50241724
PNG
(CHEMBL505821 | garveatin A)
Show SMILES CC1C(=O)c2c(O)c3c(O)c(C(C)=O)c(C)cc3cc2C(C)(C)C1=O
Show InChI InChI=1S/C20H20O5/c1-8-6-11-7-12-15(16(22)9(2)19(25)20(12,4)5)18(24)14(11)17(23)13(8)10(3)21/h6-7,9,23-24H,1-5H3
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Article
PubMed
3.20E+3n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


J Nat Prod 69: 1496-9 (2006)


Article DOI: 10.1021/np060111x
BindingDB Entry DOI: 10.7270/Q27W6BZQ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50241727
PNG
((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Show SMILES Cn1cc(C[C@H](N)C(O)=O)c2ccccc12 |r|
Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
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MCE
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Article
PubMed
6.60E+3n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay


J Nat Prod 69: 1496-9 (2006)


Article DOI: 10.1021/np060111x
BindingDB Entry DOI: 10.7270/Q27W6BZQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%