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SMILES: F\C(=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)S(=O)(=O)Oc1ccccc1

InChI Key:

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 5 hits for monomerid = 50574815   
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
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50574815
PNG
(CHEMBL4857486)
Show SMILES F\C(=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)S(=O)(=O)Oc1ccccc1 |r|
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
15n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01002
BindingDB Entry DOI: 10.7270/Q2CC14G4
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50574815
PNG
(CHEMBL4857486)
Show SMILES F\C(=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)S(=O)(=O)Oc1ccccc1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01002
BindingDB Entry DOI: 10.7270/Q2CC14G4
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50574815
PNG
(CHEMBL4857486)
Show SMILES F\C(=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)S(=O)(=O)Oc1ccccc1 |r|
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
98n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01002
BindingDB Entry DOI: 10.7270/Q2CC14G4
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50574815
PNG
(CHEMBL4857486)
Show SMILES F\C(=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)S(=O)(=O)Oc1ccccc1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
258n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01002
BindingDB Entry DOI: 10.7270/Q2CC14G4
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50574815
PNG
(CHEMBL4857486)
Show SMILES F\C(=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)S(=O)(=O)Oc1ccccc1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01002
BindingDB Entry DOI: 10.7270/Q2CC14G4
More data for this
Ligand-Target Pair