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Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with Target = 'Ricin'   
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)
BDBM50446346
PNG
(CHEMBL3109594)
Show SMILES CN1[C@@H](N(C(=O)c2cc(F)ccc12)c1ccccc1)c1ccc(s1)-c1csc(C)n1
Show InChI InChI=1S/C23H18FN3OS2/c1-14-25-18(13-29-14)20-10-11-21(30-20)22-26(2)19-9-8-15(24)12-17(19)23(28)27(22)16-6-4-3-5-7-16/h3-13,22H,1-2H3/t22-/m0/s1
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n/an/an/an/a 23n/an/an/an/a


TBA

Assay Description
Inhibition of castor bean ricin-induced toxicity in human A549 cells assessed as protection against toxin-induced inhibition of protein biosynthesis ...


Citation and Details

Article DOI: 10.1021/ml400457j
BindingDB Entry DOI: 10.7270/Q2QC0500
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50446347
PNG
(CHEMBL3109595)
Show SMILES CN1C(N(C(=O)c2cc(F)ccc12)c1ccccc1)c1ccc(s1)-c1csc(C)n1
Show InChI InChI=1S/C23H18FN3OS2/c1-14-25-18(13-29-14)20-10-11-21(30-20)22-26(2)19-9-8-15(24)12-17(19)23(28)27(22)16-6-4-3-5-7-16/h3-13,22H,1-2H3
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n/an/an/an/a 57n/an/an/an/a


TBA

Assay Description
Inhibition of castor bean ricin-induced toxicity in human A549 cells assessed as protection against toxin-induced inhibition of protein biosynthesis ...


Citation and Details

Article DOI: 10.1021/ml400457j
BindingDB Entry DOI: 10.7270/Q2QC0500
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50446345
PNG
(CHEMBL3109593)
Show SMILES CN1[C@H](N(C(=O)c2cc(F)ccc12)c1ccccc1)c1ccc(s1)-c1csc(C)n1
Show InChI InChI=1S/C23H18FN3OS2/c1-14-25-18(13-29-14)20-10-11-21(30-20)22-26(2)19-9-8-15(24)12-17(19)23(28)27(22)16-6-4-3-5-7-16/h3-13,22H,1-2H3/t22-/m1/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a


TBA

Assay Description
Inhibition of castor bean ricin-induced toxicity in human A549 cells assessed as protection against toxin-induced inhibition of protein biosynthesis ...


Citation and Details

Article DOI: 10.1021/ml400457j
BindingDB Entry DOI: 10.7270/Q2QC0500
More data for this
Ligand-Target Pair
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 (crystal)
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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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)
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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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)
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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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)
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)
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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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)
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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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)
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)
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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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)
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)
BDBM50108004
PNG
(4-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]p...)
Show SMILES Nc1nc2[nH]c(CCc3ccc(cc3)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C15H14N4O3/c16-15-18-12-11(13(20)19-15)7-10(17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,7H,3,6H2,(H,21,22)(H4,16,17,18,19,20)
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n/an/a 6.00E+5n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes


J Med Chem 45: 90-8 (2001)


Article DOI: 10.1021/jm010186s
BindingDB Entry DOI: 10.7270/Q2F190F7
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM82009
PNG
(CAS_1188 | CHEMBL1424 | NSC_1188 | Xanthine)
Show SMILES O=c1[nH]c2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
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n/an/a 3.60E+6n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes


J Med Chem 45: 90-8 (2001)


Article DOI: 10.1021/jm010186s
BindingDB Entry DOI: 10.7270/Q2F190F7
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50108005
PNG
(2-Amino-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one ...)
Show SMILES Nc1nc2cc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11)
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n/an/a 1.40E+6n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes


J Med Chem 45: 90-8 (2001)


Article DOI: 10.1021/jm010186s
BindingDB Entry DOI: 10.7270/Q2F190F7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ricin


(Ricinus communis)
BDBM50108006
PNG
(4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyr...)
Show SMILES Nc1nc2[nH]c(CNc3ccc(cc3)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C14H13N5O3/c15-14-18-11-10(12(20)19-14)5-9(17-11)6-16-8-3-1-7(2-4-8)13(21)22/h1-5,16H,6H2,(H,21,22)(H4,15,17,18,19,20)
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n/an/a 7.00E+5n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes


J Med Chem 45: 90-8 (2001)


Article DOI: 10.1021/jm010186s
BindingDB Entry DOI: 10.7270/Q2F190F7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ricin


(Ricinus communis)
BDBM50022241
PNG
(2,5-Diamino-6H-thiazolo[4,5-d]pyrimidin-7-one | CH...)
Show SMILES Nc1nc2nc(N)[nH]c(=O)c2s1
Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)12-5(7)9-2/h(H5,6,7,8,9,10,11)
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n/an/a 2.00E+6n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes


J Med Chem 45: 90-8 (2001)


Article DOI: 10.1021/jm010186s
BindingDB Entry DOI: 10.7270/Q2F190F7
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50108008
PNG
(5-AMINO-2-METHYL-6H-OXAZOLO[5,4-D]PYRIMIDIN-7-ONE ...)
Show SMILES Cc1nc2c(nc(N)[nH]c2=O)o1
Show InChI InChI=1S/C6H6N4O2/c1-2-8-3-4(11)9-6(7)10-5(3)12-2/h1H3,(H3,7,9,10,11)
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n/an/a 4.00E+5n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes


J Med Chem 45: 90-8 (2001)


Article DOI: 10.1021/jm010186s
BindingDB Entry DOI: 10.7270/Q2F190F7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ricin


(Ricinus communis)
BDBM50200094
PNG
(2-amino-1,9-dihydro-6H-purin-6-one | CHEMBL219568 ...)
Show SMILES Nc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
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n/an/a 9.00E+5n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes


J Med Chem 45: 90-8 (2001)


Article DOI: 10.1021/jm010186s
BindingDB Entry DOI: 10.7270/Q2F190F7
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

Curated by ChEMBL


Assay Description
Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes


J Med Chem 45: 90-8 (2001)


Article DOI: 10.1021/jm010186s
BindingDB Entry DOI: 10.7270/Q2F190F7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ricin


(Ricinus communis)
BDBM50028122
PNG
(2-Amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one ...)
Show SMILES Nc1nc2[nH]ccc2c(=O)[nH]1
Show InChI InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)
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n/an/a 2.80E+6n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes


J Med Chem 45: 90-8 (2001)


Article DOI: 10.1021/jm010186s
BindingDB Entry DOI: 10.7270/Q2F190F7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ricin


(Ricinus communis)
BDBM50108009
PNG
(2-Amino-8-mercapto-1,9-dihydro-purin-6-one | 2-ami...)
Show SMILES Nc1nc2[nH]c(=S)[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)
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n/an/a 5.60E+5n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes


J Med Chem 45: 90-8 (2001)


Article DOI: 10.1021/jm010186s
BindingDB Entry DOI: 10.7270/Q2F190F7
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50108007
PNG
(2-Amino-6-methyl-3,7-dihydro-pyrrolo[2,3-d]pyrimid...)
Show SMILES Cc1cc2c(nc(N)[nH]c2=O)[nH]1
Show InChI InChI=1S/C7H8N4O/c1-3-2-4-5(9-3)10-7(8)11-6(4)12/h2H,1H3,(H4,8,9,10,11,12)
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n/an/a 2.10E+6n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes


J Med Chem 45: 90-8 (2001)


Article DOI: 10.1021/jm010186s
BindingDB Entry DOI: 10.7270/Q2F190F7
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50108010
PNG
(2,4-DIAMINO-4,6-DIHYDROXYPYRIMIDINE | 2,5-Diamino-...)
Show SMILES Nc1nc(O)c(N)c(=O)[nH]1
Show InChI InChI=1S/C4H6N4O2/c5-1-2(9)7-4(6)8-3(1)10/h5H2,(H4,6,7,8,9,10)
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n/an/a 2.20E+6n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes


J Med Chem 45: 90-8 (2001)


Article DOI: 10.1021/jm010186s
BindingDB Entry DOI: 10.7270/Q2F190F7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ricin


(Ricinus communis)
BDBM50445063
PNG
(CHEMBL3098907)
Show SMILES COc1ccc(CCNC(=O)CNC(=O)c2cnc3c(nc(N)[nH]c3=O)n2)cc1OC
Show InChI InChI=1S/C19H21N7O5/c1-30-12-4-3-10(7-13(12)31-2)5-6-21-14(27)9-23-17(28)11-8-22-15-16(24-11)25-19(20)26-18(15)29/h3-4,7-8H,5-6,9H2,1-2H3,(H,21,27)(H,23,28)(H3,20,24,25,26,29)
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n/an/a 6.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 6799-804 (2014)


Article DOI: 10.1016/j.bmcl.2013.10.017
BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50445064
PNG
(CHEMBL3098906)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=O)NCCc1ccccn1
Show InChI InChI=1S/C16H16N8O3/c17-16-23-13-12(15(27)24-16)20-7-10(22-13)14(26)21-8-11(25)19-6-4-9-3-1-2-5-18-9/h1-3,5,7H,4,6,8H2,(H,19,25)(H,21,26)(H3,17,22,23,24,27)
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n/an/a 1.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 6799-804 (2014)


Article DOI: 10.1016/j.bmcl.2013.10.017
BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50445065
PNG
(CHEMBL3098919)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCCNC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H17N7O4/c18-16-23-13-12(15(26)24-16)21-8-11(22-13)14(25)19-6-7-20-17(27)28-9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,19,25)(H,20,27)(H3,18,22,23,24,26)
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n/an/a 2.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 6799-804 (2014)


Article DOI: 10.1016/j.bmcl.2013.10.017
BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ricin


(Ricinus communis)
BDBM50445066
PNG
(CHEMBL3098918)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCCNC(=O)c1ccccc1
Show InChI InChI=1S/C16H15N7O3/c17-16-22-12-11(15(26)23-16)20-8-10(21-12)14(25)19-7-6-18-13(24)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,18,24)(H,19,25)(H3,17,21,22,23,26)
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n/an/a 4.49E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 6799-804 (2014)


Article DOI: 10.1016/j.bmcl.2013.10.017
BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50445067
PNG
(CHEMBL3098917)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCCNC(=O)Nc1ccccc1
Show InChI InChI=1S/C16H16N8O3/c17-15-23-12-11(14(26)24-15)20-8-10(22-12)13(25)18-6-7-19-16(27)21-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,18,25)(H2,19,21,27)(H3,17,22,23,24,26)
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n/an/a 2.09E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 6799-804 (2014)


Article DOI: 10.1016/j.bmcl.2013.10.017
BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ricin


(Ricinus communis)
BDBM50445068
PNG
(CHEMBL3098916)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCCNC(=S)Nc1ccccc1
Show InChI InChI=1S/C16H16N8O2S/c17-15-23-12-11(14(26)24-15)20-8-10(22-12)13(25)18-6-7-19-16(27)21-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,18,25)(H2,19,21,27)(H3,17,22,23,24,26)
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n/an/a 3.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 6799-804 (2014)


Article DOI: 10.1016/j.bmcl.2013.10.017
BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50445069
PNG
(CHEMBL3098915)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCCNC(=S)Cc1ccccc1
Show InChI InChI=1S/C17H17N7O2S/c18-17-23-14-13(16(26)24-17)21-9-11(22-14)15(25)20-7-6-19-12(27)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,19,27)(H,20,25)(H3,18,22,23,24,26)
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n/an/a 3.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 6799-804 (2014)


Article DOI: 10.1016/j.bmcl.2013.10.017
BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50445070
PNG
(CHEMBL3098914)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCCC(=S)NCc1ccccc1
Show InChI InChI=1S/C17H17N7O2S/c18-17-23-14-13(16(26)24-17)21-9-11(22-14)15(25)19-7-6-12(27)20-8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,19,25)(H,20,27)(H3,18,22,23,24,26)
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n/an/a 4.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 6799-804 (2014)


Article DOI: 10.1016/j.bmcl.2013.10.017
BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50445071
PNG
(CHEMBL3098913)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=S)NCCc1ccccc1
Show InChI InChI=1S/C17H17N7O2S/c18-17-23-14-13(16(26)24-17)20-8-11(22-14)15(25)21-9-12(27)19-7-6-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,19,27)(H,21,25)(H3,18,22,23,24,26)
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n/an/a 2.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 6799-804 (2014)


Article DOI: 10.1016/j.bmcl.2013.10.017
BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50445072
PNG
(CHEMBL3098912)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCCCNC(=O)c1ccccc1
Show InChI InChI=1S/C17H17N7O3/c18-17-23-13-12(16(27)24-17)21-9-11(22-13)15(26)20-8-4-7-19-14(25)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,19,25)(H,20,26)(H3,18,22,23,24,27)
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n/an/a 4.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 6799-804 (2014)


Article DOI: 10.1016/j.bmcl.2013.10.017
BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50445073
PNG
(CHEMBL3098911)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCCNC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H17N7O3/c18-17-23-14-13(16(27)24-17)21-9-11(22-14)15(26)20-7-6-19-12(25)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,19,25)(H,20,26)(H3,18,22,23,24,27)
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n/an/a 4.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 6799-804 (2014)


Article DOI: 10.1016/j.bmcl.2013.10.017
BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50445074
PNG
(CHEMBL3098910)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C17H17N7O3/c18-17-23-14-13(16(27)24-17)20-9-11(22-14)15(26)19-8-4-7-12(25)21-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,19,26)(H,21,25)(H3,18,22,23,24,27)
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n/an/a 7.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 6799-804 (2014)


Article DOI: 10.1016/j.bmcl.2013.10.017
BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50445075
PNG
(CHEMBL3098909)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCCC(=O)NCc1ccccc1
Show InChI InChI=1S/C17H17N7O3/c18-17-23-14-13(16(27)24-17)21-9-11(22-14)15(26)19-7-6-12(25)20-8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,19,26)(H,20,25)(H3,18,22,23,24,27)
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n/an/a 5.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 6799-804 (2014)


Article DOI: 10.1016/j.bmcl.2013.10.017
BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50445076
PNG
(CHEMBL3098908)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C17H17N7O3/c18-17-23-14-13(16(27)24-17)20-8-11(22-14)15(26)21-9-12(25)19-7-6-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,19,25)(H,21,26)(H3,18,22,23,24,27)
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n/an/a 1.28E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 6799-804 (2014)


Article DOI: 10.1016/j.bmcl.2013.10.017
BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50424228
PNG
(CHEMBL2311565)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H25N9O8/c25-24-32-18-17(22(39)33-24)27-7-14(28-18)19(36)30-16(9-35)21(38)31-15(8-34)20(37)29-13(23(40)41)5-10-6-26-12-4-2-1-3-11(10)12/h1-4,6-7,13,15-16,26,34-35H,5,8-9H2,(H,29,37)(H,30,36)(H,31,38)(H,40,41)(H3,25,28,32,33,39)/t13-,15-,16-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of Ricin toxin A after 90 mins by luciferase-translational assay


J Med Chem 56: 320-9 (2013)


Article DOI: 10.1021/jm3016393
BindingDB Entry DOI: 10.7270/Q2SN0B81
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50424229
PNG
(CHEMBL2314136)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C23H23N9O7/c24-23-31-18-17(21(37)32-23)26-7-14(29-18)20(36)30-15(9-33)19(35)27-8-16(34)28-13(22(38)39)5-10-6-25-12-4-2-1-3-11(10)12/h1-4,6-7,13,15,25,33H,5,8-9H2,(H,27,35)(H,28,34)(H,30,36)(H,38,39)(H3,24,29,31,32,37)/t13-,15-/m0/s1
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n/an/a 5.50E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of Ricin toxin A after 90 mins by luciferase-translational assay


J Med Chem 56: 320-9 (2013)


Article DOI: 10.1021/jm3016393
BindingDB Entry DOI: 10.7270/Q2SN0B81
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50424230
PNG
(CHEMBL2314135)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C23H23N9O7/c24-23-31-18-17(21(37)32-23)26-7-14(29-18)19(35)27-8-16(34)28-15(9-33)20(36)30-13(22(38)39)5-10-6-25-12-4-2-1-3-11(10)12/h1-4,6-7,13,15,25,33H,5,8-9H2,(H,27,35)(H,28,34)(H,30,36)(H,38,39)(H3,24,29,31,32,37)/t13-,15-/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of Ricin toxin A after 90 mins by luciferase-translational assay


J Med Chem 56: 320-9 (2013)


Article DOI: 10.1021/jm3016393
BindingDB Entry DOI: 10.7270/Q2SN0B81
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50424231
PNG
(CHEMBL2314134)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cnc2c(nc(N)[nH]c2=O)n1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C24H28N8O7/c1-11(2)7-14(21(36)30-15(23(38)39)8-12-3-5-13(33)6-4-12)28-17(34)10-27-20(35)16-9-26-18-19(29-16)31-24(25)32-22(18)37/h3-6,9,11,14-15,33H,7-8,10H2,1-2H3,(H,27,35)(H,28,34)(H,30,36)(H,38,39)(H3,25,29,31,32,37)/t14-,15-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of Ricin toxin A after 90 mins by luciferase-translational assay


J Med Chem 56: 320-9 (2013)


Article DOI: 10.1021/jm3016393
BindingDB Entry DOI: 10.7270/Q2SN0B81
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50424232
PNG
(CHEMBL2314133)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cnc2c(nc(N)[nH]c2=O)n1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H28N8O6/c1-12(2)8-14(21(35)30-15(23(37)38)9-13-6-4-3-5-7-13)28-17(33)11-27-20(34)16-10-26-18-19(29-16)31-24(25)32-22(18)36/h3-7,10,12,14-15H,8-9,11H2,1-2H3,(H,27,34)(H,28,33)(H,30,35)(H,37,38)(H3,25,29,31,32,36)/t14-,15-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of Ricin toxin A after 90 mins by luciferase-translational assay


J Med Chem 56: 320-9 (2013)


Article DOI: 10.1021/jm3016393
BindingDB Entry DOI: 10.7270/Q2SN0B81
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50424233
PNG
(CHEMBL2314132)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C29H27N9O6/c30-29-37-24-23(27(42)38-29)32-13-21(35-24)25(40)33-14-22(39)34-19(10-15-6-2-1-3-7-15)26(41)36-20(28(43)44)11-16-12-31-18-9-5-4-8-17(16)18/h1-9,12-13,19-20,31H,10-11,14H2,(H,33,40)(H,34,39)(H,36,41)(H,43,44)(H3,30,35,37,38,42)/t19-,20-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of Ricin toxin A after 90 mins by luciferase-translational assay


J Med Chem 56: 320-9 (2013)


Article DOI: 10.1021/jm3016393
BindingDB Entry DOI: 10.7270/Q2SN0B81
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50424234
PNG
(CHEMBL2314131)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H26N8O7/c28-27-34-22-21(25(40)35-27)29-12-19(32-22)23(38)30-13-20(37)31-17(10-14-4-2-1-3-5-14)24(39)33-18(26(41)42)11-15-6-8-16(36)9-7-15/h1-9,12,17-18,36H,10-11,13H2,(H,30,38)(H,31,37)(H,33,39)(H,41,42)(H3,28,32,34,35,40)/t17-,18-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of Ricin toxin A after 90 mins by luciferase-translational assay


J Med Chem 56: 320-9 (2013)


Article DOI: 10.1021/jm3016393
BindingDB Entry DOI: 10.7270/Q2SN0B81
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50424235
PNG
(CHEMBL2314130)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H26N8O6/c28-27-34-22-21(25(39)35-27)29-13-19(32-22)23(37)30-14-20(36)31-17(11-15-7-3-1-4-8-15)24(38)33-18(26(40)41)12-16-9-5-2-6-10-16/h1-10,13,17-18H,11-12,14H2,(H,30,37)(H,31,36)(H,33,38)(H,40,41)(H3,28,32,34,35,39)/t17-,18-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of Ricin toxin A after 90 mins by luciferase-translational assay


J Med Chem 56: 320-9 (2013)


Article DOI: 10.1021/jm3016393
BindingDB Entry DOI: 10.7270/Q2SN0B81
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50424236
PNG
(CHEMBL2314129)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C21H20N8O6/c22-21-28-16-15(19(33)29-21)24-7-13(25-16)17(31)27-14(8-30)18(32)26-12(20(34)35)5-9-6-23-11-4-2-1-3-10(9)11/h1-4,6-7,12,14,23,30H,5,8H2,(H,26,32)(H,27,31)(H,34,35)(H3,22,25,28,29,33)/t12-,14-/m0/s1
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n/an/a 1.15E+5n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of Ricin toxin A after 90 mins by luciferase-translational assay


J Med Chem 56: 320-9 (2013)


Article DOI: 10.1021/jm3016393
BindingDB Entry DOI: 10.7270/Q2SN0B81
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50424237
PNG
(CHEMBL2314128)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H19N7O6/c20-19-25-14-13(17(30)26-19)21-7-11(22-14)15(28)24-12(8-27)16(29)23-10(18(31)32)6-9-4-2-1-3-5-9/h1-5,7,10,12,27H,6,8H2,(H,23,29)(H,24,28)(H,31,32)(H3,20,22,25,26,30)/t10-,12-/m0/s1
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n/an/a 9.00E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of Ricin toxin A after 90 mins by luciferase-translational assay


J Med Chem 56: 320-9 (2013)


Article DOI: 10.1021/jm3016393
BindingDB Entry DOI: 10.7270/Q2SN0B81
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)
BDBM50424238
PNG
(CHEMBL2314127)
Show SMILES C[C@H](NC(=O)c1cnc2c(nc(N)[nH]c2=O)n1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C21H20N8O5/c1-9(25-18(31)14-8-24-15-16(26-14)28-21(22)29-19(15)32)17(30)27-13(20(33)34)6-10-7-23-12-5-3-2-4-11(10)12/h2-5,7-9,13,23H,6H2,1H3,(H,25,31)(H,27,30)(H,33,34)(H3,22,26,28,29,32)/t9-,13-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of Ricin toxin A after 90 mins by luciferase-translational assay


J Med Chem 56: 320-9 (2013)


Article DOI: 10.1021/jm3016393
BindingDB Entry DOI: 10.7270/Q2SN0B81
More data for this
Ligand-Target Pair
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