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BDBM50201261 CHEMBL3982135

SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C\[N+]([O-])=O

InChI Key: InChIKey=NGVFUFFEHBAUON-OOCSTFOJSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50201261   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50201261
PNG
(CHEMBL3982135)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C\[N+]([O-])=O |r|
Show InChI InChI=1S/C18H25N3O5/c1-13(2)11-16(17(22)19-14(3)9-10-21(24)25)20-18(23)26-12-15-7-5-4-6-8-15/h4-10,13-14,16H,11-12H2,1-3H3,(H,19,22)(H,20,23)/b10-9+/t14-,16-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Universitat Jaume I

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores...


ACS Med Chem Lett 7: 1073-1076 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50201261
PNG
(CHEMBL3982135)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C\[N+]([O-])=O |r|
Show InChI InChI=1S/C18H25N3O5/c1-13(2)11-16(17(22)19-14(3)9-10-21(24)25)20-18(23)26-12-15-7-5-4-6-8-15/h4-10,13-14,16H,11-12H2,1-3H3,(H,19,22)(H,20,23)/b10-9+/t14-,16-/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Universitat Jaume I

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


ACS Med Chem Lett 7: 1073-1076 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50201261
PNG
(CHEMBL3982135)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C\[N+]([O-])=O |r|
Show InChI InChI=1S/C18H25N3O5/c1-13(2)11-16(17(22)19-14(3)9-10-21(24)25)20-18(23)26-12-15-7-5-4-6-8-15/h4-10,13-14,16H,11-12H2,1-3H3,(H,19,22)(H,20,23)/b10-9+/t14-,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Universitat Jaume I

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L


ACS Med Chem Lett 7: 1073-1076 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50201261
PNG
(CHEMBL3982135)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C\[N+]([O-])=O |r|
Show InChI InChI=1S/C18H25N3O5/c1-13(2)11-16(17(22)19-14(3)9-10-21(24)25)20-18(23)26-12-15-7-5-4-6-8-15/h4-10,13-14,16H,11-12H2,1-3H3,(H,19,22)(H,20,23)/b10-9+/t14-,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
310n/an/an/an/an/an/an/an/a



Universitat Jaume I

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


ACS Med Chem Lett 7: 1073-1076 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1
More data for this
Ligand-Target Pair