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BDBM50115854 6-Fluoro-2-[2-hydroxy-3-(piperidin-3-ylmethoxy)-phenyl]-1H-benzoimidazole-5-carboxamidine::CHEMBL303978

SMILES: NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OCC2CCCNC2)c1O

InChI Key: InChIKey=TYKNBRGVFCIVAT-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50115854   
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))
BDBM50115854
PNG
(6-Fluoro-2-[2-hydroxy-3-(piperidin-3-ylmethoxy)-ph...)
Show SMILES NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OCC2CCCNC2)c1O
Show InChI InChI=1S/C20H22FN5O2/c21-14-8-16-15(7-13(14)19(22)23)25-20(26-16)12-4-1-5-17(18(12)27)28-10-11-3-2-6-24-9-11/h1,4-5,7-8,11,24,27H,2-3,6,9-10H2,(H3,22,23)(H,25,26)
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460n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator


Bioorg Med Chem Lett 12: 2019-22 (2002)


BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50115854
PNG
(6-Fluoro-2-[2-hydroxy-3-(piperidin-3-ylmethoxy)-ph...)
Show SMILES NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OCC2CCCNC2)c1O
Show InChI InChI=1S/C20H22FN5O2/c21-14-8-16-15(7-13(14)19(22)23)25-20(26-16)12-4-1-5-17(18(12)27)28-10-11-3-2-6-24-9-11/h1,4-5,7-8,11,24,27H,2-3,6,9-10H2,(H3,22,23)(H,25,26)
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2.10E+4n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 12: 2019-22 (2002)


BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50115854
PNG
(6-Fluoro-2-[2-hydroxy-3-(piperidin-3-ylmethoxy)-ph...)
Show SMILES NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OCC2CCCNC2)c1O
Show InChI InChI=1S/C20H22FN5O2/c21-14-8-16-15(7-13(14)19(22)23)25-20(26-16)12-4-1-5-17(18(12)27)28-10-11-3-2-6-24-9-11/h1,4-5,7-8,11,24,27H,2-3,6,9-10H2,(H3,22,23)(H,25,26)
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5.00E+4n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 12: 2019-22 (2002)


BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50115854
PNG
(6-Fluoro-2-[2-hydroxy-3-(piperidin-3-ylmethoxy)-ph...)
Show SMILES NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OCC2CCCNC2)c1O
Show InChI InChI=1S/C20H22FN5O2/c21-14-8-16-15(7-13(14)19(22)23)25-20(26-16)12-4-1-5-17(18(12)27)28-10-11-3-2-6-24-9-11/h1,4-5,7-8,11,24,27H,2-3,6,9-10H2,(H3,22,23)(H,25,26)
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1.25E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 12: 2019-22 (2002)


BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50115854
PNG
(6-Fluoro-2-[2-hydroxy-3-(piperidin-3-ylmethoxy)-ph...)
Show SMILES NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OCC2CCCNC2)c1O
Show InChI InChI=1S/C20H22FN5O2/c21-14-8-16-15(7-13(14)19(22)23)25-20(26-16)12-4-1-5-17(18(12)27)28-10-11-3-2-6-24-9-11/h1,4-5,7-8,11,24,27H,2-3,6,9-10H2,(H3,22,23)(H,25,26)
PDB
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NCI pathway
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PubMed
2.63E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of tissue-type plasminogen activator


Bioorg Med Chem Lett 12: 2019-22 (2002)


BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair