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BDBM50032933 CHEMBL3356592

SMILES: CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1

InChI Key: InChIKey=CFSDWWHMXFUPKB-FIZTXSCHNA-N

Data: 3 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 3 hits for monomerid = 50032933   
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
Hepsin


(Homo sapiens (Human))
BDBM50032933
PNG
(CHEMBL3356592)
Show SMILES CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C31H46N10O6S/c1-19(42)38-22(10-5-6-14-32)27(45)40-23(12-13-25(33)43)28(46)41-24(18-20-8-3-2-4-9-20)29(47)39-21(11-7-15-37-31(34)35)26(44)30-36-16-17-48-30/h2-4,8-9,16-17,21-24H,5-7,10-15,18,32H2,1H3,(H2,33,43)(H,38,42)(H,39,47)(H,40,45)(H,41,46)(H4,34,35,37)/t21-,22-,23-,24-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.580n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50032933
PNG
(CHEMBL3356592)
Show SMILES CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C31H46N10O6S/c1-19(42)38-22(10-5-6-14-32)27(45)40-23(12-13-25(33)43)28(46)41-24(18-20-8-3-2-4-9-20)29(47)39-21(11-7-15-37-31(34)35)26(44)30-36-16-17-48-30/h2-4,8-9,16-17,21-24H,5-7,10-15,18,32H2,1H3,(H2,33,43)(H,38,42)(H,39,47)(H,40,45)(H,41,46)(H4,34,35,37)/t21-,22-,23-,24-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.690n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50032933
PNG
(CHEMBL3356592)
Show SMILES CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C31H46N10O6S/c1-19(42)38-22(10-5-6-14-32)27(45)40-23(12-13-25(33)43)28(46)41-24(18-20-8-3-2-4-9-20)29(47)39-21(11-7-15-37-31(34)35)26(44)30-36-16-17-48-30/h2-4,8-9,16-17,21-24H,5-7,10-15,18,32H2,1H3,(H2,33,43)(H,38,42)(H,39,47)(H,40,45)(H,41,46)(H4,34,35,37)/t21-,22-,23-,24-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
58n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant HGFA (unknown origin) using Boc-QLR-AMC as substrate by chromogenic proteolytic assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair