Found 16 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) | 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) | 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) | 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) | 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) | 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) | 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) | 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) | 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) | BDBM6645
(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}b...)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
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UniProtKB/SwissProt
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GoogleScholar
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| 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 |
Toho University
Curated by ChEMBL
| Assay Description
Inhibition of Ricin toxin A |
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 | 
3D Structure (docked) |
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