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BDBM16128 4-(trifluoromethyl)benzene-1-guanidine::CHEMBL43961::phenylguanidine 2

SMILES: NC(=N)Nc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=IUNFWMWQNWQIFS-UHFFFAOYSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 16128   
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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM16128
PNG
(4-(trifluoromethyl)benzene-1-guanidine | CHEMBL439...)
Show SMILES NC(=N)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N3/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H4,12,13,14)
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Article
PubMed
6.00E+3 -7.41n/an/an/an/an/a8.137



Pfizer



Assay Description
Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 4...


J Med Chem 50: 2341-51 (2007)


Article DOI: 10.1021/jm061066t
BindingDB Entry DOI: 10.7270/Q27S7M18
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM16128
PNG
(4-(trifluoromethyl)benzene-1-guanidine | CHEMBL439...)
Show SMILES NC(=N)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N3/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H4,12,13,14)
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PubMed
6.49E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM16128
PNG
(4-(trifluoromethyl)benzene-1-guanidine | CHEMBL439...)
Show SMILES NC(=N)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N3/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H4,12,13,14)
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PubMed
6.49E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM16128
PNG
(4-(trifluoromethyl)benzene-1-guanidine | CHEMBL439...)
Show SMILES NC(=N)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N3/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H4,12,13,14)
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PubMed
6.31E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Trypsin


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin I


(Bos taurus (bovine))
BDBM16128
PNG
(4-(trifluoromethyl)benzene-1-guanidine | CHEMBL439...)
Show SMILES NC(=N)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N3/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H4,12,13,14)
PDB
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CHEMBL
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PubMed
6.31E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Trypsin


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM16128
PNG
(4-(trifluoromethyl)benzene-1-guanidine | CHEMBL439...)
Show SMILES NC(=N)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N3/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H4,12,13,14)
PDB
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PubMed
<1.00E+7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human plasmin was determined at 0.5 mM


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair