Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'jasheway' and Initial = 'kr'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Ricin (Ricinus communis)	BDBM50420411 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50445065 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Ricin (Ricinus communis)	BDBM50445071 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50445069 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50445073 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50445070 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50445063 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50420410 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50445076 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.28E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50351574 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 Structure (docked)
Ricin (Ricinus communis)	BDBM50351569 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Ricin (Ricinus communis)	BDBM50445067 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	2.09E+5	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Ricin (Ricinus communis)	BDBM50351569 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Ricin (Ricinus communis)	BDBM50351572 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Ricin (Ricinus communis)	BDBM50351572 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Ricin (Ricinus communis)	BDBM50420406 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.15E+5	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50420409 (CHEMBL2089317) Show SMILES COc1ccc(Cn2cc(CNC(=O)c3cnc4c(nc(N)[nH]c4=O)n3)nn2)cc1 Show InChI InChI=1S/C18H17N9O3/c1-30-12-4-2-10(3-5-12)8-27-9-11(25-26-27)6-21-16(28)13-7-20-14-15(22-13)23-18(19)24-17(14)29/h2-5,7,9H,6,8H2,1H3,(H,21,28)(H3,19,22,23,24,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+5	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50445066 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.49E+5	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50420405 (CHEMBL2089312) Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1ccc(o1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C19H16N8O4/c20-19-26-15-14(18(30)27-19)22-9-12(25-15)16(28)24-8-11-4-5-13(31-11)17(29)23-7-10-3-1-2-6-21-10/h1-6,9H,7-8H2,(H,23,29)(H,24,28)(H3,20,25,26,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50351575 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 Structure (docked)
Ricin (Ricinus communis)	BDBM50351577 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 Structure (docked)
Ricin (Ricinus communis)	BDBM50420414 (CHEMBL2089315) Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1 Show InChI InChI=1S/C17H14ClN9O2/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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50420412 (CHEMBL2089328) Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cn(Cc2cccc3ccccc23)nn1 Show InChI InChI=1S/C21H17N9O2/c22-21-26-18-17(20(32)27-21)23-9-16(25-18)19(31)24-8-14-11-30(29-28-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,9,11H,8,10H2,(H,24,31)(H3,22,25,26,27,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50351571 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 Structure (docked)
Ricin (Ricinus communis)	BDBM50351573 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+5	n/a	n/a	n/a	n/a	n/a	n/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 Structure (docked)
Ricin (Ricinus communis)	BDBM6645 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 Structure (docked)
Ricin (Ricinus communis)	BDBM50351576 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 Structure (docked)
Ricin (Ricinus communis)	BDBM50351570 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+6	n/a	n/a	n/a	n/a	n/a	n/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 Structure (docked)