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PubMed code 11027132

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X/antithrombin III


(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 -56.3n/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/antithrombin III


(Homo sapiens (human))
BDBM17284
PNG
(2-{[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-diflu...)
Show SMILES CN(CC(O)=O)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F
Show InChI InChI=1S/C25H24F2N6O5/c1-32-9-8-30-23(32)14-4-3-5-15(10-14)37-24-19(26)21(33(2)12-18(35)36)20(27)25(31-24)38-17-11-13(22(28)29)6-7-16(17)34/h3-7,10-11,34H,8-9,12H2,1-2H3,(H3,28,29)(H,35,36)
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Article
PubMed
0.110 -56.3n/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
3D
3D Structure (crystal)
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM17279
PNG
(2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(4,5-dih...)
Show SMILES NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)C3=NCCN3)n2)C(O)=O)c1
Show InChI InChI=1S/C22H19N5O5/c23-20(24)12-4-5-16(28)17(9-12)32-19-11-14(22(29)30)10-18(27-19)31-15-3-1-2-13(8-15)21-25-6-7-26-21/h1-5,8-11,28H,6-7H2,(H3,23,24)(H,25,26)(H,29,30)
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Article
PubMed
85 -40.0n/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)
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Article
PubMed
170 -38.2n/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))
BDBM17284
PNG
(2-{[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-diflu...)
Show SMILES CN(CC(O)=O)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F
Show InChI InChI=1S/C25H24F2N6O5/c1-32-9-8-30-23(32)14-4-3-5-15(10-14)37-24-19(26)21(33(2)12-18(35)36)20(27)25(31-24)38-17-11-13(22(28)29)6-7-16(17)34/h3-7,10-11,34H,8-9,12H2,1-2H3,(H3,28,29)(H,35,36)
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Article
PubMed
280 -37.0n/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))
BDBM17279
PNG
(2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(4,5-dih...)
Show SMILES NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)C3=NCCN3)n2)C(O)=O)c1
Show InChI InChI=1S/C22H19N5O5/c23-20(24)12-4-5-16(28)17(9-12)32-19-11-14(22(29)30)10-18(27-19)31-15-3-1-2-13(8-15)21-25-6-7-26-21/h1-5,8-11,28H,6-7H2,(H3,23,24)(H,25,26)(H,29,30)
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Article
PubMed
1.40E+3 -33.1n/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
* indicates data uncertainty>20%