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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 50158156   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine protease hepsin


(Homo sapiens (Human))
BDBM50158156
PNG
(CHEMBL3781626)
Show SMILES COC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H33N5O2/c1-32-23-17-29(25(31)30(18-23)22-9-5-8-21(14-22)24(26)27)16-20-10-12-28(13-11-20)15-19-6-3-2-4-7-19/h2-9,14,20,23H,10-13,15-18H2,1H3,(H3,26,27)
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Article
PubMed
760n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00357
BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50158156
PNG
(CHEMBL3781626)
Show SMILES COC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H33N5O2/c1-32-23-17-29(25(31)30(18-23)22-9-5-8-21(14-22)24(26)27)16-20-10-12-28(13-11-20)15-19-6-3-2-4-7-19/h2-9,14,20,23H,10-13,15-18H2,1H3,(H3,26,27)
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PC sid
UniChem

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Article
PubMed
760n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00357
BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50158156
PNG
(CHEMBL3781626)
Show SMILES COC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H33N5O2/c1-32-23-17-29(25(31)30(18-23)22-9-5-8-21(14-22)24(26)27)16-20-10-12-28(13-11-20)15-19-6-3-2-4-7-19/h2-9,14,20,23H,10-13,15-18H2,1H3,(H3,26,27)
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PC sid
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Article
PubMed
810n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matripase catalytic domain using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00357
BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50158156
PNG
(CHEMBL3781626)
Show SMILES COC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H33N5O2/c1-32-23-17-29(25(31)30(18-23)22-9-5-8-21(14-22)24(26)27)16-20-10-12-28(13-11-20)15-19-6-3-2-4-7-19/h2-9,14,20,23H,10-13,15-18H2,1H3,(H3,26,27)
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Article
PubMed
1.23E+3n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00357
BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50158156
PNG
(CHEMBL3781626)
Show SMILES COC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H33N5O2/c1-32-23-17-29(25(31)30(18-23)22-9-5-8-21(14-22)24(26)27)16-20-10-12-28(13-11-20)15-19-6-3-2-4-7-19/h2-9,14,20,23H,10-13,15-18H2,1H3,(H3,26,27)
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PC sid
UniChem

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Article
PubMed
2.49E+3n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepatocyte growth factor activator using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00357
BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50158156
PNG
(CHEMBL3781626)
Show SMILES COC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H33N5O2/c1-32-23-17-29(25(31)30(18-23)22-9-5-8-21(14-22)24(26)27)16-20-10-12-28(13-11-20)15-19-6-3-2-4-7-19/h2-9,14,20,23H,10-13,15-18H2,1H3,(H3,26,27)
PDB

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antibodypedia
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PC cid
PC sid
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thrombin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00357
BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair