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BDBM50236924 CHEMBL4093487

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1

InChI Key: InChIKey=HCTPBIOGHNIJMU-BBXFGWPUSA-N

Data: 2 KI

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 = 50236924   
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
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236924
PNG
(CHEMBL4093487)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C40H44N8O7S/c41-29(20-23-7-13-26(49)14-8-23)36(53)46-32(21-24-9-15-27(50)16-10-24)38(55)47-33(22-25-11-17-28(51)18-12-25)37(54)45-31(5-3-19-44-40(42)43)35(52)39-48-30-4-1-2-6-34(30)56-39/h1-2,4,6-18,29,31-33,49-51H,3,5,19-22,41H2,(H,45,54)(H,46,53)(H,47,55)(H4,42,43,44)/t29-,31-,32-,33-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha-L-Fucosidase of human placenta


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50236924
PNG
(CHEMBL4093487)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C40H44N8O7S/c41-29(20-23-7-13-26(49)14-8-23)36(53)46-32(21-24-9-15-27(50)16-10-24)38(55)47-33(22-25-11-17-28(51)18-12-25)37(54)45-31(5-3-19-44-40(42)43)35(52)39-48-30-4-1-2-6-34(30)56-39/h1-2,4,6-18,29,31-33,49-51H,3,5,19-22,41H2,(H,45,54)(H,46,53)(H,47,55)(H4,42,43,44)/t29-,31-,32-,33-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


Eur J Med Chem 129: 110-123 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.006
BindingDB Entry DOI: 10.7270/Q2GB269P
More data for this
Ligand-Target Pair