Found 4 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 |
|---|
Cathepsin B
(Homo sapiens (Human)) | BDBM16503
(CA inhibitor 6 | CA074Me | PrNH-tES-Ile-Pro-OMe | ...)Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OC)C(=O)NCCC |r| Show InChI InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-B using Z-Arg-Arg AMC as substrate by fluorescence assay |
ACS Med Chem Lett 3: 920-924 (2012)
Article DOI: 10.1021/ml300197h
BindingDB Entry DOI: 10.7270/Q21Z45KS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cathepsin B
(Homo sapiens (Human)) | BDBM50400262
(CHEMBL2179952)Show SMILES O[C@H](CN(Cc1ccccc1)C(=O)[CH-][N+]#N)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H28N4O4/c28-29-17-26(33)31(18-22-12-6-2-7-13-22)19-25(32)24(16-21-10-4-1-5-11-21)30-27(34)35-20-23-14-8-3-9-15-23/h1-15,17,24-25,32H,16,18-20H2,(H,30,34)/t24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-B using Z-Arg-Arg AMC as substrate by fluorescence assay |
ACS Med Chem Lett 3: 920-924 (2012)
Article DOI: 10.1021/ml300197h
BindingDB Entry DOI: 10.7270/Q21Z45KS |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50400264
(CHEMBL2179950)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[CH-][N+]#N |r| Show InChI InChI=1S/C21H22N4O4/c1-15(19(26)13-23-22)24-20(27)18(12-16-8-4-2-5-9-16)25-21(28)29-14-17-10-6-3-7-11-17/h2-11,13,15,18H,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-B using Z-Arg-Arg AMC as substrate by fluorescence assay |
ACS Med Chem Lett 3: 920-924 (2012)
Article DOI: 10.1021/ml300197h
BindingDB Entry DOI: 10.7270/Q21Z45KS |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50400263
(CHEMBL2179951)Show SMILES CC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Cc1ccccc1 |r| Show InChI InChI=1S/C27H30N2O4/c1-21(30)29(18-23-13-7-3-8-14-23)19-26(31)25(17-22-11-5-2-6-12-22)28-27(32)33-20-24-15-9-4-10-16-24/h2-16,25-26,31H,17-20H2,1H3,(H,28,32)/t25-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-B using Z-Arg-Arg AMC as substrate by fluorescence assay |
ACS Med Chem Lett 3: 920-924 (2012)
Article DOI: 10.1021/ml300197h
BindingDB Entry DOI: 10.7270/Q21Z45KS |
More data for this
Ligand-Target Pair | |
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