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BDBM50115876 2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-6-fluoro-1H-benzoimidazole-5-carboxamidine::CHEMBL302913

SMILES: NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OC2CCCC2)c1O

InChI Key: InChIKey=HGCWQYNOYKMTPT-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 = 50115876   
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))
BDBM50115876
PNG
(2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-6-fluoro-1H-...)
Show SMILES NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OC2CCCC2)c1O
Show InChI InChI=1S/C19H19FN4O2/c20-13-9-15-14(8-12(13)18(21)22)23-19(24-15)11-6-3-7-16(17(11)25)26-10-4-1-2-5-10/h3,6-10,25H,1-2,4-5H2,(H3,21,22)(H,23,24)
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220n/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))
BDBM50115876
PNG
(2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-6-fluoro-1H-...)
Show SMILES NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OC2CCCC2)c1O
Show InChI InChI=1S/C19H19FN4O2/c20-13-9-15-14(8-12(13)18(21)22)23-19(24-15)11-6-3-7-16(17(11)25)26-10-4-1-2-5-10/h3,6-10,25H,1-2,4-5H2,(H3,21,22)(H,23,24)
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1.60E+3n/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50115876
PNG
(2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-6-fluoro-1H-...)
Show SMILES NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OC2CCCC2)c1O
Show InChI InChI=1S/C19H19FN4O2/c20-13-9-15-14(8-12(13)18(21)22)23-19(24-15)11-6-3-7-16(17(11)25)26-10-4-1-2-5-10/h3,6-10,25H,1-2,4-5H2,(H3,21,22)(H,23,24)
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3.20E+4n/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
Prothrombin


(Homo sapiens (Human))
BDBM50115876
PNG
(2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-6-fluoro-1H-...)
Show SMILES NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OC2CCCC2)c1O
Show InChI InChI=1S/C19H19FN4O2/c20-13-9-15-14(8-12(13)18(21)22)23-19(24-15)11-6-3-7-16(17(11)25)26-10-4-1-2-5-10/h3,6-10,25H,1-2,4-5H2,(H3,21,22)(H,23,24)
PDB

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antibodypedia
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PC cid
PC sid
UniChem

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PubMed
3.20E+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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50115876
PNG
(2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-6-fluoro-1H-...)
Show SMILES NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OC2CCCC2)c1O
Show InChI InChI=1S/C19H19FN4O2/c20-13-9-15-14(8-12(13)18(21)22)23-19(24-15)11-6-3-7-16(17(11)25)26-10-4-1-2-5-10/h3,6-10,25H,1-2,4-5H2,(H3,21,22)(H,23,24)
PDB
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NCI pathway
Reactome pathway
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PC cid
PC sid
UniChem

Similars

PubMed
3.30E+4n/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