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BDBM50330784 CHEMBL1231476::Pinacol(Phenylmethanesulfonylamino)methaneboronate::{[(benzylsulfonyl)amino]methyl}boronic acid

SMILES: OB(O)CNS(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=TTWWUAQISBIHPB-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 2 PDB IDs match this monomer.

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 2 hits for monomerid = 50330784   
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
Cruzipain


(Trypanosoma cruzi)
BDBM50330784
PNG
(CHEMBL1231476 | Pinacol(Phenylmethanesulfonylamino...)
Show SMILES OB(O)CNS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C8H12BNO4S/c11-9(12)7-10-15(13,14)6-8-4-2-1-3-5-8/h1-5,10-12H,6-7H2
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzaine


J Med Chem 53: 7852-63 (2010)


Article DOI: 10.1021/jm101015z
BindingDB Entry DOI: 10.7270/Q2T153VR
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50330784
PNG
(CHEMBL1231476 | Pinacol(Phenylmethanesulfonylamino...)
Show SMILES OB(O)CNS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C8H12BNO4S/c11-9(12)7-10-15(13,14)6-8-4-2-1-3-5-8/h1-5,10-12H,6-7H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition of bovine alpha-chymotrypsin


J Med Chem 53: 7852-63 (2010)


Article DOI: 10.1021/jm101015z
BindingDB Entry DOI: 10.7270/Q2T153VR
More data for this
Ligand-Target Pair