Found 14 hits of Enzyme Inhibition Constant Data 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) | 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) | 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) | 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) | 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) | 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) | 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) | 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 | |
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