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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 13897   
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


(Homo sapiens (Human))
BDBM13897
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(O)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C27H29N5O2/c1-32(2,3)22-9-7-18(8-10-22)16-30-27(34)25-15-21-14-23(33)11-12-24(21)31(25)17-19-5-4-6-20(13-19)26(28)29/h4-15H,16-17H2,1-3H3,(H4-,28,29,30,33,34)/p+1
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Article
PubMed
28n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13897
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(O)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C27H29N5O2/c1-32(2,3)22-9-7-18(8-10-22)16-30-27(34)25-15-21-14-23(33)11-12-24(21)31(25)17-19-5-4-6-20(13-19)26(28)29/h4-15H,16-17H2,1-3H3,(H4-,28,29,30,33,34)/p+1
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28n/an/an/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease factor Xa (fXa) was determined


Bioorg Med Chem Lett 11: 227-30 (2001)


BindingDB Entry DOI: 10.7270/Q2KD1X68
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13897
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(O)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C27H29N5O2/c1-32(2,3)22-9-7-18(8-10-22)16-30-27(34)25-15-21-14-23(33)11-12-24(21)31(25)17-19-5-4-6-20(13-19)26(28)29/h4-15H,16-17H2,1-3H3,(H4-,28,29,30,33,34)/p+1
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Article
PubMed
1.19E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13897
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(O)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C27H29N5O2/c1-32(2,3)22-9-7-18(8-10-22)16-30-27(34)25-15-21-14-23(33)11-12-24(21)31(25)17-19-5-4-6-20(13-19)26(28)29/h4-15H,16-17H2,1-3H3,(H4-,28,29,30,33,34)/p+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin was determined


Bioorg Med Chem Lett 11: 227-30 (2001)


BindingDB Entry DOI: 10.7270/Q2KD1X68
More data for this
Ligand-Target Pair