Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'robertus' and Initial = 'jd'   

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
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50138983 ((S)-2-Amino-5-(2-methyl-isothioureido)-pentanoic a...) Show SMILES CSC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4| Show InChI InChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM92901 (ADMA, 3) Show SMILES CN(C)C(N)=NCCC[C@H](N)C(O)=O |r,w:5.5| Show InChI InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50072297 ((S)-5-Acetimidoylamino-2-amino-pent | (S)-5-Acetim...) Show SMILES CC(N)=NCCC[C@H](N)C(O)=O |r,w:3.3| Show InChI InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM92900 (CHEMBL1835117 | L-Arginine, 2 | NMMA, 2) Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0| Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50254450 ((S)-2-Amino-5-propionimidoylamino-pentanoic acid |...) Show SMILES CCC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4| Show InChI InChI=1S/C8H17N3O2/c1-2-7(10)11-5-3-4-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (Homo sapiens (Human))	BDBM92904 (nNOS and DDAH inhibitor, 14) Show SMILES CCCCC(N)=NCCC[C@H](N)C(O)=O |r,w:6.6| Show InChI InChI=1S/C10H21N3O2/c1-2-3-6-9(12)13-7-4-5-8(11)10(14)15/h8H,2-7,11H2,1H3,(H2,12,13)(H,14,15)/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM92904 (nNOS and DDAH inhibitor, 14) Show SMILES CCCCC(N)=NCCC[C@H](N)C(O)=O |r,w:6.6| Show InChI InChI=1S/C10H21N3O2/c1-2-3-6-9(12)13-7-4-5-8(11)10(14)15/h8H,2-7,11H2,1H3,(H2,12,13)(H,14,15)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (Homo sapiens (Human))	BDBM50254450 ((S)-2-Amino-5-propionimidoylamino-pentanoic acid |...) Show SMILES CCC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4| Show InChI InChI=1S/C8H17N3O2/c1-2-7(10)11-5-3-4-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair				3D Structure (crystal)
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (Homo sapiens (Human))	BDBM92905 (DDAH Inhibitor, 15) Show SMILES CCCCCC(N)=NCCC[C@H](N)C(O)=O |r,w:7.7| Show InChI InChI=1S/C11H23N3O2/c1-2-3-4-7-10(13)14-8-5-6-9(12)11(15)16/h9H,2-8,12H2,1H3,(H2,13,14)(H,15,16)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (Homo sapiens (Human))	BDBM92900 (CHEMBL1835117 | L-Arginine, 2 | NMMA, 2) Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0| Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (Homo sapiens (Human))	BDBM92900 (CHEMBL1835117 | L-Arginine, 2 | NMMA, 2) Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0| Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (Homo sapiens (Human))	BDBM50072297 ((S)-5-Acetimidoylamino-2-amino-pent | (S)-5-Acetim...) Show SMILES CC(N)=NCCC[C@H](N)C(O)=O |r,w:3.3| Show InChI InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	9.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM92903 (L-Citrulline, 4) Show SMILES N[C@@H](CCCNC(N)=O)C(O)=O Show InChI InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (Homo sapiens (Human))	BDBM92900 (CHEMBL1835117 | L-Arginine, 2 | NMMA, 2) Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0| Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (Homo sapiens (Human))	BDBM92900 (CHEMBL1835117 | L-Arginine, 2 | NMMA, 2) Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0| Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM92905 (DDAH Inhibitor, 15) Show SMILES CCCCCC(N)=NCCC[C@H](N)C(O)=O |r,w:7.7| Show InChI InChI=1S/C11H23N3O2/c1-2-3-4-7-10(13)14-8-5-6-9(12)11(15)16/h9H,2-8,12H2,1H3,(H2,13,14)(H,15,16)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.90E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (Homo sapiens (Human))	BDBM92903 (L-Citrulline, 4) Show SMILES N[C@@H](CCCNC(N)=O)C(O)=O Show InChI InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	3.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas					Assay Description Inhibition assay using DDAH-1 and nNOS.				Biochemistry 48: 8624-35 (2009) Article DOI: 10.1021/bi9007098 BindingDB Entry DOI: 10.7270/Q29C6W1P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ricin (Ricinus communis)	BDBM50424241 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/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)	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)	BDBM50424235 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50424242 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/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)	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)	BDBM50424233 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/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)	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)	BDBM50424240 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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)	BDBM50424229 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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)	BDBM50424237 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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)	BDBM50424236 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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

Displayed 1 to 50 (of 89 total )  |  Next  |  Last  >>

Jump to: