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BDBM50066640 3-{6-[3-amino(imino)methylphenoxy]-3,5-difluoro-2-pyridyloxy}phenyl-iminomethanamine::CHEMBL424036

SMILES: NC(=N)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)cc2F)c1

InChI Key: InChIKey=YSBKPPPTSBMIHQ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50066640   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50066640
PNG
(3-{6-[3-amino(imino)methylphenoxy]-3,5-difluoro-2-...)
Show SMILES NC(=N)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)cc2F)c1
Show InChI InChI=1S/C19H15F2N5O2/c20-14-9-15(21)19(28-13-6-2-4-11(8-13)17(24)25)26-18(14)27-12-5-1-3-10(7-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25)
PDB
MMDB

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PubMed
24n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound was tested for inhibition activity against Coagulation factor X


J Med Chem 42: 1749-56 (1999)


Article DOI: 10.1021/jm980667k
BindingDB Entry DOI: 10.7270/Q2FX78NF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066640
PNG
(3-{6-[3-amino(imino)methylphenoxy]-3,5-difluoro-2-...)
Show SMILES NC(=N)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)cc2F)c1
Show InChI InChI=1S/C19H15F2N5O2/c20-14-9-15(21)19(28-13-6-2-4-11(8-13)17(24)25)26-18(14)27-12-5-1-3-10(7-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25)
PDB
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Article
PubMed
24n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50066640
PNG
(3-{6-[3-amino(imino)methylphenoxy]-3,5-difluoro-2-...)
Show SMILES NC(=N)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)cc2F)c1
Show InChI InChI=1S/C19H15F2N5O2/c20-14-9-15(21)19(28-13-6-2-4-11(8-13)17(24)25)26-18(14)27-12-5-1-3-10(7-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25)
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PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against bovine trypsin.


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50066640
PNG
(3-{6-[3-amino(imino)methylphenoxy]-3,5-difluoro-2-...)
Show SMILES NC(=N)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)cc2F)c1
Show InChI InChI=1S/C19H15F2N5O2/c20-14-9-15(21)19(28-13-6-2-4-11(8-13)17(24)25)26-18(14)27-12-5-1-3-10(7-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
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PC sid
UniChem

Patents


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Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound was tested for inhibition activity against bovine trypsin.


J Med Chem 42: 1749-56 (1999)


Article DOI: 10.1021/jm980667k
BindingDB Entry DOI: 10.7270/Q2FX78NF
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50066640
PNG
(3-{6-[3-amino(imino)methylphenoxy]-3,5-difluoro-2-...)
Show SMILES NC(=N)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)cc2F)c1
Show InChI InChI=1S/C19H15F2N5O2/c20-14-9-15(21)19(28-13-6-2-4-11(8-13)17(24)25)26-18(14)27-12-5-1-3-10(7-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.70E+4n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound was tested for inhibition activity against human thrombin (FIIa)


J Med Chem 42: 1749-56 (1999)


Article DOI: 10.1021/jm980667k
BindingDB Entry DOI: 10.7270/Q2FX78NF
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50066640
PNG
(3-{6-[3-amino(imino)methylphenoxy]-3,5-difluoro-2-...)
Show SMILES NC(=N)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)cc2F)c1
Show InChI InChI=1S/C19H15F2N5O2/c20-14-9-15(21)19(28-13-6-2-4-11(8-13)17(24)25)26-18(14)27-12-5-1-3-10(7-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.70E+4n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human thrombin


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair