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BDBM17280 1-[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]piperidine-3-carboxylic acid::Pyridine template, V

SMILES: CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(N3CCCC(C3)C(O)=O)c2F)c1

InChI Key: InChIKey=NRCRZGGGYMSXER-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 17280   
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))
BDBM17280
PNG
(1-[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluo...)
Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(N3CCCC(C3)C(O)=O)c2F)c1
Show InChI InChI=1S/C28H28F2N6O5/c1-35-11-9-33-25(35)16-4-2-6-18(12-16)40-26-21(29)23(36-10-3-5-17(14-36)28(38)39)22(30)27(34-26)41-20-13-15(24(31)32)7-8-19(20)37/h2,4,6-8,12-13,17,37H,3,5,9-11,14H2,1H3,(H3,31,32)(H,38,39)
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Article
PubMed
0.110 -13.4n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Biochemistry 39: 12534-42 (2000)


Article DOI: 10.1021/bi001477q
BindingDB Entry DOI: 10.7270/Q2C827JM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM17280
PNG
(1-[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluo...)
Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(N3CCCC(C3)C(O)=O)c2F)c1
Show InChI InChI=1S/C28H28F2N6O5/c1-35-11-9-33-25(35)16-4-2-6-18(12-16)40-26-21(29)23(36-10-3-5-17(14-36)28(38)39)22(30)27(34-26)41-20-13-15(24(31)32)7-8-19(20)37/h2,4,6-8,12-13,17,37H,3,5,9-11,14H2,1H3,(H3,31,32)(H,38,39)
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PubMed
0.110 -13.4n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Acta Crystallogr D Biol Crystallogr 55: 1395-404 (1999)


BindingDB Entry DOI: 10.7270/Q2H1308B
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM17280
PNG
(1-[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluo...)
Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(N3CCCC(C3)C(O)=O)c2F)c1
Show InChI InChI=1S/C28H28F2N6O5/c1-35-11-9-33-25(35)16-4-2-6-18(12-16)40-26-21(29)23(36-10-3-5-17(14-36)28(38)39)22(30)27(34-26)41-20-13-15(24(31)32)7-8-19(20)37/h2,4,6-8,12-13,17,37H,3,5,9-11,14H2,1H3,(H3,31,32)(H,38,39)
PDB
MMDB

KEGG

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B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
170 -9.14n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Biochemistry 39: 12534-42 (2000)


Article DOI: 10.1021/bi001477q
BindingDB Entry DOI: 10.7270/Q2C827JM
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM17280
PNG
(1-[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluo...)
Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(N3CCCC(C3)C(O)=O)c2F)c1
Show InChI InChI=1S/C28H28F2N6O5/c1-35-11-9-33-25(35)16-4-2-6-18(12-16)40-26-21(29)23(36-10-3-5-17(14-36)28(38)39)22(30)27(34-26)41-20-13-15(24(31)32)7-8-19(20)37/h2,4,6-8,12-13,17,37H,3,5,9-11,14H2,1H3,(H3,31,32)(H,38,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
170 -9.14n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Acta Crystallogr D Biol Crystallogr 55: 1395-404 (1999)


BindingDB Entry DOI: 10.7270/Q2H1308B
More data for this
Ligand-Target Pair