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BDBM240627 US9409882, 32

SMILES: Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1Cl)-c1ccnc(Cl)c1

InChI Key: InChIKey=GAJNSRVTRDPQFO-PXLAXKNCNA-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 = 240627   
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))
BDBM240627
PNG
(US9409882, 32)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1Cl)-c1ccnc(Cl)c1
Show InChI InChI=1/C29H23Cl3FN5O4S/c30-18-11-21(33)25(36-13-18)29(6-7-29)27(40)38-14-19(12-22(38)26(39)37-28(15-34)4-5-28)43(41,42)23-2-1-16(9-20(23)31)17-3-8-35-24(32)10-17/h1-3,8-11,13,19,22H,4-7,12,14H2,(H,37,39)/t19-,22+/s2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 112n/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))
BDBM240627
PNG
(US9409882, 32)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1Cl)-c1ccnc(Cl)c1
Show InChI InChI=1/C29H23Cl3FN5O4S/c30-18-11-21(33)25(36-13-18)29(6-7-29)27(40)38-14-19(12-22(38)26(39)37-28(15-34)4-5-28)43(41,42)23-2-1-16(9-20(23)31)17-3-8-35-24(32)10-17/h1-3,8-11,13,19,22H,4-7,12,14H2,(H,37,39)/t19-,22+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.686n/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