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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 50158161   
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
Trypsin


(Homo sapiens (Human))
BDBM50158161
PNG
(CHEMBL3781405)
Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)c2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C32H38N6O2/c33-30(34)28-12-7-13-29(18-28)38-23-26(19-35-31(39)27-10-5-2-6-11-27)22-37(32(38)40)21-25-14-16-36(17-15-25)20-24-8-3-1-4-9-24/h1-13,18,25-26H,14-17,19-23H2,(H3,33,34)(H,35,39)
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330n/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))
BDBM50158161
PNG
(CHEMBL3781405)
Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)c2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C32H38N6O2/c33-30(34)28-12-7-13-29(18-28)38-23-26(19-35-31(39)27-10-5-2-6-11-27)22-37(32(38)40)21-25-14-16-36(17-15-25)20-24-8-3-1-4-9-24/h1-13,18,25-26H,14-17,19-23H2,(H3,33,34)(H,35,39)
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Article
PubMed
470n/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))
BDBM50158161
PNG
(CHEMBL3781405)
Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)c2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C32H38N6O2/c33-30(34)28-12-7-13-29(18-28)38-23-26(19-35-31(39)27-10-5-2-6-11-27)22-37(32(38)40)21-25-14-16-36(17-15-25)20-24-8-3-1-4-9-24/h1-13,18,25-26H,14-17,19-23H2,(H3,33,34)(H,35,39)
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PubMed
750n/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))
BDBM50158161
PNG
(CHEMBL3781405)
Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)c2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C32H38N6O2/c33-30(34)28-12-7-13-29(18-28)38-23-26(19-35-31(39)27-10-5-2-6-11-27)22-37(32(38)40)21-25-14-16-36(17-15-25)20-24-8-3-1-4-9-24/h1-13,18,25-26H,14-17,19-23H2,(H3,33,34)(H,35,39)
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PubMed
1.10E+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
Serine protease hepsin


(Homo sapiens (Human))
BDBM50158161
PNG
(CHEMBL3781405)
Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)c2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C32H38N6O2/c33-30(34)28-12-7-13-29(18-28)38-23-26(19-35-31(39)27-10-5-2-6-11-27)22-37(32(38)40)21-25-14-16-36(17-15-25)20-24-8-3-1-4-9-24/h1-13,18,25-26H,14-17,19-23H2,(H3,33,34)(H,35,39)
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Article
PubMed
1.10E+3n/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
Prothrombin


(Homo sapiens (Human))
BDBM50158161
PNG
(CHEMBL3781405)
Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)c2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C32H38N6O2/c33-30(34)28-12-7-13-29(18-28)38-23-26(19-35-31(39)27-10-5-2-6-11-27)22-37(32(38)40)21-25-14-16-36(17-15-25)20-24-8-3-1-4-9-24/h1-13,18,25-26H,14-17,19-23H2,(H3,33,34)(H,35,39)
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Compound was evaluated for potency towards nicotinic acetylcholine receptor in rat P2 brain membranes using [3H]-nicotine as a radioligand


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