Found 9 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 |
|---|
Cruzipain
(Trypanosoma cruzi) | BDBM50436754
(CHEMBL2402103)Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(NC(=O)Nc2ccc(Cl)cc2)cs1 Show InChI InChI=1S/C17H11ClF3N3OS/c18-12-5-7-13(8-6-12)22-16(25)24-14-9-26-15(23-14)10-1-3-11(4-2-10)17(19,20)21/h1-9H,(H2,22,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
J Med Chem 56: 5637-58 (2014)
Article DOI: 10.1021/jm301424d
BindingDB Entry DOI: 10.7270/Q24T6KR9 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50436753
(CHEMBL2402107)Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C17H14Cl2N2O3S/c1-2-24-16(23)10-3-6-12(7-4-10)20-17(25)21-15(22)11-5-8-13(18)14(19)9-11/h3-9H,2H2,1H3,(H2,20,21,22,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
J Med Chem 56: 5637-58 (2014)
Article DOI: 10.1021/jm301424d
BindingDB Entry DOI: 10.7270/Q24T6KR9 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50436751
(CHEMBL2402109)Show SMILES O=C(NC(=S)Nc1ncccc1OCc1ccccc1)c1cccn1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H20N4O4S2/c29-23(20-13-8-16-28(20)34(30,31)19-11-5-2-6-12-19)27-24(33)26-22-21(14-7-15-25-22)32-17-18-9-3-1-4-10-18/h1-16H,17H2,(H2,25,26,27,29,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
J Med Chem 56: 5637-58 (2014)
Article DOI: 10.1021/jm301424d
BindingDB Entry DOI: 10.7270/Q24T6KR9 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50436752
(CHEMBL2402102)Show SMILES Cn1nc(cc1-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1)C(F)(F)F Show InChI InChI=1S/C17H12F6N4OS/c1-27-11(8-13(26-27)17(21,22)23)12-5-6-14(29-12)25-15(28)24-10-4-2-3-9(7-10)16(18,19)20/h2-8H,1H3,(H2,24,25,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
J Med Chem 56: 5637-58 (2014)
Article DOI: 10.1021/jm301424d
BindingDB Entry DOI: 10.7270/Q24T6KR9 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50436750
(CHEMBL2402106)Show SMILES CS(=O)(=O)c1sc(C(=O)NC(=S)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12 Show InChI InChI=1S/C18H13F3N2O4S3/c1-30(25,26)16-13-5-3-2-4-12(13)14(29-16)15(24)23-17(28)22-10-6-8-11(9-7-10)27-18(19,20)21/h2-9H,1H3,(H2,22,23,24,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
J Med Chem 56: 5637-58 (2014)
Article DOI: 10.1021/jm301424d
BindingDB Entry DOI: 10.7270/Q24T6KR9 |
More data for this
Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50436753
(CHEMBL2402107)Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C17H14Cl2N2O3S/c1-2-24-16(23)10-3-6-12(7-4-10)20-17(25)21-15(22)11-5-8-13(18)14(19)9-11/h3-9H,2H2,1H3,(H2,20,21,22,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Inhibition of papaya papain |
J Med Chem 56: 5637-58 (2014)
Article DOI: 10.1021/jm301424d
BindingDB Entry DOI: 10.7270/Q24T6KR9 |
More data for this
Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50436754
(CHEMBL2402103)Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(NC(=O)Nc2ccc(Cl)cc2)cs1 Show InChI InChI=1S/C17H11ClF3N3OS/c18-12-5-7-13(8-6-12)22-16(25)24-14-9-26-15(23-14)10-1-3-11(4-2-10)17(19,20)21/h1-9H,(H2,22,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Inhibition of papaya papain |
J Med Chem 56: 5637-58 (2014)
Article DOI: 10.1021/jm301424d
BindingDB Entry DOI: 10.7270/Q24T6KR9 |
More data for this
Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50436750
(CHEMBL2402106)Show SMILES CS(=O)(=O)c1sc(C(=O)NC(=S)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12 Show InChI InChI=1S/C18H13F3N2O4S3/c1-30(25,26)16-13-5-3-2-4-12(13)14(29-16)15(24)23-17(28)22-10-6-8-11(9-7-10)27-18(19,20)21/h2-9H,1H3,(H2,22,23,24,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Inhibition of papaya papain |
J Med Chem 56: 5637-58 (2014)
Article DOI: 10.1021/jm301424d
BindingDB Entry DOI: 10.7270/Q24T6KR9 |
More data for this
Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50436752
(CHEMBL2402102)Show SMILES Cn1nc(cc1-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1)C(F)(F)F Show InChI InChI=1S/C17H12F6N4OS/c1-27-11(8-13(26-27)17(21,22)23)12-5-6-14(29-12)25-15(28)24-10-4-2-3-9(7-10)16(18,19)20/h2-8H,1H3,(H2,24,25,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Inhibition of papaya papain |
J Med Chem 56: 5637-58 (2014)
Article DOI: 10.1021/jm301424d
BindingDB Entry DOI: 10.7270/Q24T6KR9 |
More data for this
Ligand-Target Pair | |
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