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Compile Data Set for Download or QSAR

Found 90 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)		BDBM50424241
PNG
(CHEMBL2314138)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C18H17N7O6/c19-18-24-14-13(16(29)25-18)20-6-11(23-14)15(28)21-7-12(27)22-10(17(30)31)5-8-1-3-9(26)4-2-8/h1-4,6,10,26H,5,7H2,(H,21,28)(H,22,27)(H,30,31)(H3,19,23,24,25,29)/t10-/m0/s1
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n/an/a 6.00E+3n/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)		BDBM50580245
PNG
(CHEMBL5081858)
Show SMILES Cc1cccc(C)c1-c1ccc(s1)C(O)=O
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n/an/a 1.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of castor beans ricin toxin A subunit assessed as depurination of ribosome using yeast ribosomes by qRT-PCR analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01370
BindingDB Entry DOI: 10.7270/Q2862MBV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 |r|
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)		BDBM50580246
PNG
(CHEMBL5077000)
Show SMILES CCc1ccccc1-c1ccc(s1)C(O)=O
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n/an/a 1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of castor beans ricin toxin A subunit assessed as depurination of ribosome using yeast ribosomes by qRT-PCR analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01370
BindingDB Entry DOI: 10.7270/Q2862MBV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ricin


(Ricinus communis)		BDBM50420411
PNG
(CHEMBL2089319)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cn(CSc2ccccc2)nn1
Show InChI InChI=1S/C17H15N9O2S/c18-17-22-14-13(16(28)23-17)19-7-12(21-14)15(27)20-6-10-8-26(25-24-10)9-29-11-4-2-1-3-5-11/h1-5,7-8H,6,9H2,(H,20,27)(H3,18,21,22,23,28)
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay

ACS Med Chem Lett 3: 588-591 (2012)


Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B
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 |r|
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
Ricin


(Ricinus communis)		BDBM50580242
PNG
(CHEMBL1589861)
Show SMILES Cc1ccccc1-c1ccc(s1)C(O)=O
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n/an/a 1.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of castor beans ricin toxin A subunit assessed as depurination of ribosome using yeast ribosomes by qRT-PCR analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01370
BindingDB Entry DOI: 10.7270/Q2862MBV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ricin


(Ricinus communis)		BDBM50424242
PNG
(CHEMBL2314137)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C18H17N7O5/c19-18-24-14-13(16(28)25-18)20-7-11(23-14)15(27)21-8-12(26)22-10(17(29)30)6-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2,(H,21,27)(H,22,26)(H,29,30)(H3,19,23,24,25,28)/t10-/m0/s1
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n/an/a 2.00E+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)		BDBM50424239
PNG
(CHEMBL2314140)
Show SMILES C[C@H](NC(=O)c1cnc2c(nc(N)[nH]c2=O)n1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C19H19N7O5/c1-9(15(27)24-11(18(30)31)7-10-5-3-2-4-6-10)22-16(28)12-8-21-13-14(23-12)25-19(20)26-17(13)29/h2-6,8-9,11H,7H2,1H3,(H,22,28)(H,24,27)(H,30,31)(H3,20,23,25,26,29)/t9-,11-/m0/s1
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n/an/a 2.10E+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 |r|
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)		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 |r|
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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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)		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)


BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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)


BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)		BDBM50420407
PNG
(CHEMBL2089314)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1ccc(o1)C(=O)NCCNc1ccccc1
Show InChI InChI=1S/C21H20N8O4/c22-21-28-17-16(20(32)29-21)25-11-14(27-17)18(30)26-10-13-6-7-15(33-13)19(31)24-9-8-23-12-4-2-1-3-5-12/h1-7,11,23H,8-10H2,(H,24,31)(H,26,30)(H3,22,27,28,29,32)
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n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay

ACS Med Chem Lett 3: 588-591 (2012)


Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B
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 |r|
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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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 |r|
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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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)		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)


BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
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)


BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)		BDBM50424240
PNG
(CHEMBL2314139)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C20H18N8O5/c21-20-27-16-15(18(31)28-20)23-7-13(26-16)17(30)24-8-14(29)25-12(19(32)33)5-9-6-22-11-4-2-1-3-10(9)11/h1-4,6-7,12,22H,5,8H2,(H,24,30)(H,25,29)(H,32,33)(H3,21,26,27,28,31)/t12-/m0/s1
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n/an/a 4.00E+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)		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)


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)


BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)		BDBM50580244
PNG
(CHEMBL5090353)
Show SMILES Cc1cc(C)c(-c2ccc(s2)C(O)=O)c(C)c1
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n/an/a 4.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of castor beans ricin toxin A subunit assessed as depurination of ribosome using yeast ribosomes by qRT-PCR analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01370
BindingDB Entry DOI: 10.7270/Q2862MBV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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)


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)


BindingDB Entry DOI: 10.7270/Q2H41SW6
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 |r|
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 |r|
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)		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)


BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)		BDBM50420404
PNG
(CHEMBL2089311)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cnn[nH]1
Show InChI InChI=1S/C10H9N9O2/c11-10-16-7-6(9(21)17-10)12-3-5(15-7)8(20)13-1-4-2-14-19-18-4/h2-3H,1H2,(H,13,20)(H,14,18,19)(H3,11,15,16,17,21)
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n/an/a 7.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay

ACS Med Chem Lett 3: 588-591 (2012)


Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B
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)


BindingDB Entry DOI: 10.7270/Q2H41SW6
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 |r|
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)		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 |r|
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)		BDBM50420410
PNG
(CHEMBL2089318)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cn(Cc2cccnc2)nn1
Show InChI InChI=1S/C16H14N10O2/c17-16-22-13-12(15(28)23-16)19-6-11(21-13)14(27)20-5-10-8-26(25-24-10)7-9-2-1-3-18-4-9/h1-4,6,8H,5,7H2,(H,20,27)(H3,17,21,22,23,28)
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n/an/a 1.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay

ACS Med Chem Lett 3: 588-591 (2012)


Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B
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 |r|
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)		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)


BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)		BDBM50420413
PNG
(CHEMBL2089310)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1ncc[nH]1
Show InChI InChI=1S/C11H10N8O2/c12-11-18-8-7(10(21)19-11)15-3-5(17-8)9(20)16-4-6-13-1-2-14-6/h1-3H,4H2,(H,13,14)(H,16,20)(H3,12,17,18,19,21)
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n/an/a 1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay

ACS Med Chem Lett 3: 588-591 (2012)


Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)		BDBM50420415
PNG
(CHEMBL2086423)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cn(CCc2ccccc2)nn1
Show InChI InChI=1S/C18H17N9O2/c19-18-23-15-14(17(29)24-18)20-9-13(22-15)16(28)21-8-12-10-27(26-25-12)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H,21,28)(H3,19,22,23,24,29)
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n/an/a 1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay

ACS Med Chem Lett 3: 588-591 (2012)


Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B
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)


BindingDB Entry DOI: 10.7270/Q2H41SW6
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)		BDBM50420403
PNG
(CHEMBL2089309)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCCc1cccs1
Show InChI InChI=1S/C13H12N6O2S/c14-13-18-10-9(12(21)19-13)16-6-8(17-10)11(20)15-4-3-7-2-1-5-22-7/h1-2,5-6H,3-4H2,(H,15,20)(H3,14,17,18,19,21)
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n/an/a 1.80E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay

ACS Med Chem Lett 3: 588-591 (2012)


Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)		BDBM50580240
PNG
(CHEMBL3951007)
Show SMILES OC(=O)c1ccc(s1)-c1ccccc1
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n/an/a 1.81E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of castor beans ricin toxin A subunit assessed as depurination of ribosome using yeast ribosomes by qRT-PCR analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01370
BindingDB Entry DOI: 10.7270/Q2862MBV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ricin


(Ricinus communis)		BDBM50580240
PNG
(CHEMBL3951007)
Show SMILES OC(=O)c1ccc(s1)-c1ccccc1
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n/an/a 1.81E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of castor beans ricin toxin A subunit assessed as depurination of ribosome using liver ribosomes by qRT-PCR analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01370
BindingDB Entry DOI: 10.7270/Q2862MBV
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 (crystal)
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)		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)


BindingDB Entry DOI: 10.7270/Q2H41SW6
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 2.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay

ACS Med Chem Lett 3: 588-591 (2012)


Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B
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



TBA

Curated by ChEMBL


Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay

ACS Med Chem Lett 3: 588-591 (2012)


Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B
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)		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)


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


(Ricinus communis)		BDBM50420406
PNG
(CHEMBL2089313)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1ccc(o1)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H20N8O4/c24-23-30-19-18(22(34)31-23)27-11-16(29-19)20(32)28-10-13-5-6-17(35-13)21(33)25-8-7-12-9-26-15-4-2-1-3-14(12)15/h1-6,9,11,26H,7-8,10H2,(H,25,33)(H,28,32)(H3,24,29,30,31,34)
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n/an/a 4.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay

ACS Med Chem Lett 3: 588-591 (2012)


Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)		BDBM50420402
PNG
(CHEMBL2089308)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cccs1
Show InChI InChI=1S/C12H10N6O2S/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 4.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay

ACS Med Chem Lett 3: 588-591 (2012)


Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B
More data for this
Ligand-Target Pair
Ricin


(Ricinus communis)		BDBM50420408
PNG
(CHEMBL2089316)
Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1
Show InChI InChI=1S/C17H14BrN9O2/c18-10-3-1-9(2-4-10)7-27-8-11(25-26-27)5-21-15(28)12-6-20-13-14(22-12)23-17(19)24-16(13)29/h1-4,6,8H,5,7H2,(H,21,28)(H3,19,22,23,24,29)
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n/an/a 4.15E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay

ACS Med Chem Lett 3: 588-591 (2012)


Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B
More data for this
Ligand-Target Pair
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