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SMILES: Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)c(Cl)n1

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 2 hits for monomerid = 448413   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM448413
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)c(Cl)n1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
4n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM448413
PNG
(1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...)
Show SMILES Cc1[nH]nc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)c(Cl)n1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37° C. For ...


US Patent US10695334 (2020)

More data for this
Ligand-Target Pair