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BDBM13591 (2R)-2-[(4-carbamimidoylphenyl)amino]-2-{5-ethoxy-2-fluoro-3-[(3S)-oxolan-3-yloxy]phenyl}acetic acid::(R)-(4-Carbamimidoyl-phenylamino)-{3-ethoxy-2-fluoro-5-[(S)-(tetra-hydro-furan-3-yl)-oxy]-phenyl}-acetic acid::phenylglycine derivative 6

SMILES: CCOc1cc(O[C@H]2CCOC2)c(F)c(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O

InChI Key: InChIKey=PGYOHIAQCFZQDK-IFXJQAMLSA-N

Data: 4 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 4 hits for monomerid = 13591   
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 VII


(Homo sapiens (Human))
BDBM13591
PNG
((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{5-ethoxy-...)
Show SMILES CCOc1cc(O[C@H]2CCOC2)c(F)c(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
35 -10.1n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem 14: 5357-69 (2006)


Article DOI: 10.1016/j.bmc.2006.03.042
BindingDB Entry DOI: 10.7270/Q2NP22PZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13591
PNG
((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{5-ethoxy-...)
Show SMILES CCOc1cc(O[C@H]2CCOC2)c(F)c(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19+/m0/s1
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GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
410n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem 14: 5357-69 (2006)


Article DOI: 10.1016/j.bmc.2006.03.042
BindingDB Entry DOI: 10.7270/Q2NP22PZ
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13591
PNG
((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{5-ethoxy-...)
Show SMILES CCOc1cc(O[C@H]2CCOC2)c(F)c(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19+/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem 14: 5357-69 (2006)


Article DOI: 10.1016/j.bmc.2006.03.042
BindingDB Entry DOI: 10.7270/Q2NP22PZ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM13591
PNG
((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{5-ethoxy-...)
Show SMILES CCOc1cc(O[C@H]2CCOC2)c(F)c(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.70E+3 -7.33n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem 14: 5357-69 (2006)


Article DOI: 10.1016/j.bmc.2006.03.042
BindingDB Entry DOI: 10.7270/Q2NP22PZ
More data for this
Ligand-Target Pair