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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50097759   
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))
BDBM50097759
PNG
(3-Carbamimidoyl-N-[(R)-2-oxo-1-phenyl-2-(4-phenyl-...)
Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H27N5O2/c27-24(28)20-10-7-11-21(18-20)25(32)29-23(19-8-3-1-4-9-19)26(33)31-16-14-30(15-17-31)22-12-5-2-6-13-22/h1-13,18,23H,14-17H2,(H3,27,28)(H,29,32)/t23-/m1/s1
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16n/an/an/an/an/an/an/an/a



Prosthetics Molecular Design

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor Xa


Bioorg Med Chem Lett 11: 733-6 (2001)


BindingDB Entry DOI: 10.7270/Q2M32V0B
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50097759
PNG
(3-Carbamimidoyl-N-[(R)-2-oxo-1-phenyl-2-(4-phenyl-...)
Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H27N5O2/c27-24(28)20-10-7-11-21(18-20)25(32)29-23(19-8-3-1-4-9-19)26(33)31-16-14-30(15-17-31)22-12-5-2-6-13-22/h1-13,18,23H,14-17H2,(H3,27,28)(H,29,32)/t23-/m1/s1
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340n/an/an/an/an/an/an/an/a



Prosthetics Molecular Design

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin


Bioorg Med Chem Lett 11: 733-6 (2001)


BindingDB Entry DOI: 10.7270/Q2M32V0B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50097759
PNG
(3-Carbamimidoyl-N-[(R)-2-oxo-1-phenyl-2-(4-phenyl-...)
Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H27N5O2/c27-24(28)20-10-7-11-21(18-20)25(32)29-23(19-8-3-1-4-9-19)26(33)31-16-14-30(15-17-31)22-12-5-2-6-13-22/h1-13,18,23H,14-17H2,(H3,27,28)(H,29,32)/t23-/m1/s1
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PubMed
1.74E+3n/an/an/an/an/an/an/an/a



Prosthetics Molecular Design

Curated by ChEMBL


Assay Description
Affinity for human thrombin


Bioorg Med Chem Lett 11: 733-6 (2001)


BindingDB Entry DOI: 10.7270/Q2M32V0B
More data for this
Ligand-Target Pair