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PubMed code 21641093

Compile data set for download or QSAR
Found 10 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
Ricin


(Ricinus communis)
BDBM50351574
PNG
(CHEMBL1825014)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCCNc1ccccc1
Show InChI InChI=1S/C15H15N7O2/c16-15-21-12-11(14(24)22-15)19-8-10(20-12)13(23)18-7-6-17-9-4-2-1-3-5-9/h1-5,8,17H,6-7H2,(H,18,23)(H3,16,20,21,22,24)
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PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of castor seed ricin A chain translation degradation activity in rabbit reticulocyte lysate after 90 mins by luciferase-based luminometer ...


Eur J Med Chem 46: 3608-15 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.025
BindingDB Entry DOI: 10.7270/Q2D21Z00
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ricin


(Ricinus communis)
BDBM50351569
PNG
(CHEMBL1738820)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(O)=O
Show InChI InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)9-1-2(10-4)6(14)15/h1H,(H,14,15)(H3,8,10,11,12,13)
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PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of castor seed ricin A chain translation degradation activity in rabbit reticulocyte lysate after 90 mins by luciferase-based luminometer ...


Eur J Med Chem 46: 3608-15 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.025
BindingDB Entry DOI: 10.7270/Q2D21Z00
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ricin


(Ricinus communis)
BDBM50351572
PNG
(CHEMBL1738821)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1ccco1
Show InChI InChI=1S/C12H10N6O3/c13-12-17-9-8(11(20)18-12)14-5-7(16-9)10(19)15-4-6-2-1-3-21-6/h1-3,5H,4H2,(H,15,19)(H3,13,16,17,18,20)
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n/an/a 3.80E+5n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of castor seed ricin A chain translation degradation activity in rabbit reticulocyte lysate after 90 mins by luciferase-based luminometer ...


Eur J Med Chem 46: 3608-15 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.025
BindingDB Entry DOI: 10.7270/Q2D21Z00
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ricin


(Ricinus communis)
BDBM50351577
PNG
(CHEMBL1821763)
Show SMILES CC(=O)c1cnc2c(nc(N)[nH]c2=O)n1
Show InChI InChI=1S/C8H7N5O2/c1-3(14)4-2-10-5-6(11-4)12-8(9)13-7(5)15/h2H,1H3,(H3,9,11,12,13,15)
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n/an/a 5.00E+5n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of castor seed ricin A chain translation degradation activity in rabbit reticulocyte lysate after 90 mins by luciferase-based luminometer ...


Eur J Med Chem 46: 3608-15 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.025
BindingDB Entry DOI: 10.7270/Q2D21Z00
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ricin


(Ricinus communis)
BDBM50351571
PNG
(CHEMBL1825011)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C13H11N7O2/c14-13-19-10-9(12(22)20-13)16-6-8(18-10)11(21)17-5-7-3-1-2-4-15-7/h1-4,6H,5H2,(H,17,21)(H3,14,18,19,20,22)
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PubMed
n/an/a 5.00E+5n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of castor seed ricin A chain translation degradation activity in rabbit reticulocyte lysate after 90 mins by luciferase-based luminometer ...


Eur J Med Chem 46: 3608-15 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.025
BindingDB Entry DOI: 10.7270/Q2D21Z00
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ricin


(Ricinus communis)
BDBM50351575
PNG
(CHEMBL1825015)
Show SMILES NNC(=O)c1cnc2c(nc(N)[nH]c2=O)n1
Show InChI InChI=1S/C7H7N7O2/c8-7-12-4-3(6(16)13-7)10-1-2(11-4)5(15)14-9/h1H,9H2,(H,14,15)(H3,8,11,12,13,16)
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n/an/a 5.00E+5n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of castor seed ricin A chain translation degradation activity in rabbit reticulocyte lysate after 90 mins by luciferase-based luminometer ...


Eur J Med Chem 46: 3608-15 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.025
BindingDB Entry DOI: 10.7270/Q2D21Z00
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ricin


(Ricinus communis)
BDBM50351573
PNG
(CHEMBL1825013)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C14H11FN6O2/c15-8-3-1-7(2-4-8)5-18-12(22)9-6-17-10-11(19-9)20-14(16)21-13(10)23/h1-4,6H,5H2,(H,18,22)(H3,16,19,20,21,23)
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PubMed
n/an/a 5.70E+5n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of castor seed ricin A chain translation degradation activity in rabbit reticulocyte lysate after 90 mins by luciferase-based luminometer ...


Eur J Med Chem 46: 3608-15 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.025
BindingDB Entry DOI: 10.7270/Q2D21Z00
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ricin


(Ricinus communis)
BDBM6645
PNG
(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}b...)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(O)=O)nc2c(=O)[nH]1
Show InChI InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
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n/an/a 6.00E+5n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of castor seed ricin A chain translation degradation activity in rabbit reticulocyte lysate after 90 mins by luciferase-based luminometer ...


Eur J Med Chem 46: 3608-15 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.025
BindingDB Entry DOI: 10.7270/Q2D21Z00
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ricin


(Ricinus communis)
BDBM50351576
PNG
(CHEMBL1825016)
Show SMILES CCC(=O)c1cnc2c(nc(N)[nH]c2=O)n1
Show InChI InChI=1S/C9H9N5O2/c1-2-5(15)4-3-11-6-7(12-4)13-9(10)14-8(6)16/h3H,2H2,1H3,(H3,10,12,13,14,16)
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PubMed
n/an/a 7.00E+5n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of castor seed ricin A chain translation degradation activity in rabbit reticulocyte lysate after 90 mins by luciferase-based luminometer ...


Eur J Med Chem 46: 3608-15 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.025
BindingDB Entry DOI: 10.7270/Q2D21Z00
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ricin


(Ricinus communis)
BDBM50351570
PNG
(CHEMBL1825010)
Show SMILES CNC(=O)c1cnc2c(nc(N)[nH]c2=O)n1
Show InChI InChI=1S/C8H8N6O2/c1-10-6(15)3-2-11-4-5(12-3)13-8(9)14-7(4)16/h2H,1H3,(H,10,15)(H3,9,12,13,14,16)
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PubMed
n/an/a 1.60E+6n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of castor seed ricin A chain translation degradation activity in rabbit reticulocyte lysate after 90 mins by luciferase-based luminometer ...


Eur J Med Chem 46: 3608-15 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.025
BindingDB Entry DOI: 10.7270/Q2D21Z00
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
* indicates data uncertainty>20%