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BDBM336176 US9744148, 45::US9744148, 85

SMILES: CCC(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1

InChI Key: InChIKey=BSWHFFXLKFKORZ-UHFFFAOYSA-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 = 336176   
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
Kallikrein 7


(Homo sapiens (Human))
BDBM336176
PNG
(US9744148, 45 | US9744148, 85)
Show SMILES CCC(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1
Show InChI InChI=1S/C23H23N3O5/c1-3-18(22(28)24-19-14-15(2)31-26-19)30-23(29)20(16-10-6-4-7-11-16)25-21(27)17-12-8-5-9-13-17/h4-14,18,20H,3H2,1-2H3,(H,25,27)(H,24,26,28)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 6.43E+3n/an/an/an/an/an/a



SIXERA Pharma AB

US Patent


Assay Description
Substrate:(MeO-Suc-Arg-Pro-Tyr-pNA), acetate salt, Peptide international, lot #906841, previously named S-2586Enzyme: Active human KLK7 (SCCE) 0.62 m...


US Patent US9744148 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PSV
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM336176
PNG
(US9744148, 45 | US9744148, 85)
Show SMILES CCC(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1
Show InChI InChI=1S/C23H23N3O5/c1-3-18(22(28)24-19-14-15(2)31-26-19)30-23(29)20(16-10-6-4-7-11-16)25-21(27)17-12-8-5-9-13-17/h4-14,18,20H,3H2,1-2H3,(H,25,27)(H,24,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a 660n/an/an/an/an/an/a



SIXERA Pharma AB

US Patent


Assay Description
Substrate:(MeO-Suc-Arg-Pro-Tyr-pNA), acetate salt, Peptide international, lot #906841, previously named S-2586Enzyme: Active human KLK7 (SCCE) 0.62 m...


US Patent US9744148 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PSV
More data for this
Ligand-Target Pair