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SMILES: CCOC(=O)c1cc(NC\C=C\c2cccc(c2)C(N)=N)ccc1OC1CCN(CC1)C(C)=N

InChI Key: InChIKey=PZVTYTRORJEOPM-WJFIXVFMSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50112507   
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))
BDBM50112507
PNG
(5-[3-(3-Carbamimidoyl-phenyl)-allylamino]-2-[1-(1-...)
Show SMILES CCOC(=O)c1cc(NC\C=C\c2cccc(c2)C(N)=N)ccc1OC1CCN(CC1)C(C)=N
Show InChI InChI=1S/C26H33N5O3/c1-3-33-26(32)23-17-21(30-13-5-7-19-6-4-8-20(16-19)25(28)29)9-10-24(23)34-22-11-14-31(15-12-22)18(2)27/h4-10,16-17,22,27,30H,3,11-15H2,1-2H3,(H3,28,29)/b7-5+,27-18?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6.80n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Competitive inhibition of coagulation factor Xa


Bioorg Med Chem Lett 12: 1307-10 (2002)


BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50112507
PNG
(5-[3-(3-Carbamimidoyl-phenyl)-allylamino]-2-[1-(1-...)
Show SMILES CCOC(=O)c1cc(NC\C=C\c2cccc(c2)C(N)=N)ccc1OC1CCN(CC1)C(C)=N
Show InChI InChI=1S/C26H33N5O3/c1-3-33-26(32)23-17-21(30-13-5-7-19-6-4-8-20(16-19)25(28)29)9-10-24(23)34-22-11-14-31(15-12-22)18(2)27/h4-10,16-17,22,27,30H,3,11-15H2,1-2H3,(H3,28,29)/b7-5+,27-18?
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
40n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Competitive inhibition of trypsin


Bioorg Med Chem Lett 12: 1307-10 (2002)


BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50112507
PNG
(5-[3-(3-Carbamimidoyl-phenyl)-allylamino]-2-[1-(1-...)
Show SMILES CCOC(=O)c1cc(NC\C=C\c2cccc(c2)C(N)=N)ccc1OC1CCN(CC1)C(C)=N
Show InChI InChI=1S/C26H33N5O3/c1-3-33-26(32)23-17-21(30-13-5-7-19-6-4-8-20(16-19)25(28)29)9-10-24(23)34-22-11-14-31(15-12-22)18(2)27/h4-10,16-17,22,27,30H,3,11-15H2,1-2H3,(H3,28,29)/b7-5+,27-18?
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
480n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Competitive inhibition of coagulation factor IIa


Bioorg Med Chem Lett 12: 1307-10 (2002)


BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair