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BDBM50032944 CHEMBL3356603

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1

InChI Key: InChIKey=DVZQOTUGXDAQNJ-VJANTYMQSA-N

Data: 3 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50032944   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hepsin


(Homo sapiens (Human))
BDBM50032944
PNG
(CHEMBL3356603)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C26H45N11O6S/c1-14(2)12-18(22(42)35-16(6-4-8-32-25(27)28)20(40)24-31-10-11-44-24)37-21(41)17(7-5-9-33-26(29)30)36-23(43)19(13-38)34-15(3)39/h10-11,14,16-19,38H,4-9,12-13H2,1-3H3,(H,34,39)(H,35,42)(H,36,43)(H,37,41)(H4,27,28,32)(H4,29,30,33)/t16-,17-,18-,19-/m0/s1
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Article
PubMed
0.680n/an/an/an/an/an/an/an/a



Washington University

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))
BDBM50032944
PNG
(CHEMBL3356603)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C26H45N11O6S/c1-14(2)12-18(22(42)35-16(6-4-8-32-25(27)28)20(40)24-31-10-11-44-24)37-21(41)17(7-5-9-33-26(29)30)36-23(43)19(13-38)34-15(3)39/h10-11,14,16-19,38H,4-9,12-13H2,1-3H3,(H,34,39)(H,35,42)(H,36,43)(H,37,41)(H4,27,28,32)(H4,29,30,33)/t16-,17-,18-,19-/m0/s1
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UniChem

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Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Washington University

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))
BDBM50032944
PNG
(CHEMBL3356603)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C26H45N11O6S/c1-14(2)12-18(22(42)35-16(6-4-8-32-25(27)28)20(40)24-31-10-11-44-24)37-21(41)17(7-5-9-33-26(29)30)36-23(43)19(13-38)34-15(3)39/h10-11,14,16-19,38H,4-9,12-13H2,1-3H3,(H,34,39)(H,35,42)(H,36,43)(H,37,41)(H4,27,28,32)(H4,29,30,33)/t16-,17-,18-,19-/m0/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



Washington University

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