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BDBM240638 US9409882, 43

SMILES: Fc1cc(I)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1cccn1

InChI Key: InChIKey=ZBEYWPMZEAPAJQ-DBHKEIOZNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 240638   
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
Cathepsin L1


(Homo sapiens (Human))
BDBM240638
PNG
(US9409882, 43)
Show SMILES Fc1cc(I)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1cccn1
Show InChI InChI=1/C27H24FIN6O4S/c28-19-12-17(29)14-31-23(19)27(8-9-27)25(37)34-15-18(13-21(34)24(36)33-26(16-30)6-7-26)40(38,39)22-5-2-1-4-20(22)35-11-3-10-32-35/h1-5,10-12,14,18,21H,6-9,13,15H2,(H,33,36)/t18-,21+/s2
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 90.6n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...


US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM240638
PNG
(US9409882, 43)
Show SMILES Fc1cc(I)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1cccn1
Show InChI InChI=1/C27H24FIN6O4S/c28-19-12-17(29)14-31-23(19)27(8-9-27)25(37)34-15-18(13-21(34)24(36)33-26(16-30)6-7-26)40(38,39)22-5-2-1-4-20(22)35-11-3-10-32-35/h1-5,10-12,14,18,21H,6-9,13,15H2,(H,33,36)/t18-,21+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 17.0n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...


US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair