BindingDB logo
myBDB logout

BDBM240615 US9409882, 20

SMILES: Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ccc(cn1)C(F)(F)F

InChI Key: InChIKey=LAYNTZUQPLZQLU-XELGSYHNNA-N

Data: 2 IC50

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 = 240615   
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))
BDBM240615
PNG
(US9409882, 20)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ccc(cn1)C(F)(F)F
Show InChI InChI=1/C24H20ClF4N5O2S/c25-14-7-16(26)19(32-10-14)23(5-6-23)21(36)34-11-15(8-17(34)20(35)33-22(12-30)3-4-22)37-18-2-1-13(9-31-18)24(27,28)29/h1-2,7,9-10,15,17H,3-6,8,11H2,(H,33,35)/t15-,17+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.06E+3n/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))
BDBM240615
PNG
(US9409882, 20)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ccc(cn1)C(F)(F)F
Show InChI InChI=1/C24H20ClF4N5O2S/c25-14-7-16(26)19(32-10-14)23(5-6-23)21(36)34-11-15(8-17(34)20(35)33-22(12-30)3-4-22)37-18-2-1-13(9-31-18)24(27,28)29/h1-2,7,9-10,15,17H,3-6,8,11H2,(H,33,35)/t15-,17+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 393n/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