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BDBM50077174 6-[6-(3-Carbamimidoyl-phenoxy)-5-oxo-1,2,5,6-tetrahydro-pyrazin-2-yloxy]-pyridine-2-carboxamidine::CHEMBL50961

SMILES: NC(=N)c1cccc(OC2N=C(CNC2=O)Oc2cccc(n2)C(N)=N)c1

InChI Key: InChIKey=PWTAVJTYNIFGIS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50077174   
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))
BDBM50077174
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-5-oxo-1,2,5,6-tetra...)
Show SMILES NC(=N)c1cccc(OC2N=C(CNC2=O)Oc2cccc(n2)C(N)=N)c1 |c:10|
Show InChI InChI=1S/C17H17N7O3/c18-14(19)9-3-1-4-10(7-9)26-17-16(25)22-8-13(24-17)27-12-6-2-5-11(23-12)15(20)21/h1-7,17H,8H2,(H3,18,19)(H3,20,21)(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
190n/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
Serine protease 1


(Bos taurus (bovine))
BDBM50077174
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-5-oxo-1,2,5,6-tetra...)
Show SMILES NC(=N)c1cccc(OC2N=C(CNC2=O)Oc2cccc(n2)C(N)=N)c1 |c:10|
Show InChI InChI=1S/C17H17N7O3/c18-14(19)9-3-1-4-10(7-9)26-17-16(25)22-8-13(24-17)27-12-6-2-5-11(23-12)15(20)21/h1-7,17H,8H2,(H3,18,19)(H3,20,21)(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
760n/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
Prothrombin


(Homo sapiens (Human))
BDBM50077174
PNG
(6-[6-(3-Carbamimidoyl-phenoxy)-5-oxo-1,2,5,6-tetra...)
Show SMILES NC(=N)c1cccc(OC2N=C(CNC2=O)Oc2cccc(n2)C(N)=N)c1 |c:10|
Show InChI InChI=1S/C17H17N7O3/c18-14(19)9-3-1-4-10(7-9)26-17-16(25)22-8-13(24-17)27-12-6-2-5-11(23-12)15(20)21/h1-7,17H,8H2,(H3,18,19)(H3,20,21)(H,22,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+3n/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