Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50112494' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112494
(7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-methy...)Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(C)nc2c1[N+]([O-])=O |(-7.32,-3.83,;-5.99,-4.62,;-5.99,-6.16,;-4.66,-3.85,;-3.33,-4.63,;-1.98,-3.86,;-1.98,-2.33,;-3.33,-1.55,;-4.64,-2.31,;-.65,-1.56,;.68,-2.33,;.68,-3.87,;2.01,-4.64,;3.36,-3.86,;4.81,-4.34,;4.83,-5.88,;6.16,-6.65,;6.16,-8.17,;7.49,-8.94,;8.82,-8.17,;10.16,-8.94,;11.49,-8.17,;11.49,-6.61,;10.13,-5.86,;8.82,-6.63,;7.47,-5.86,;12.81,-5.83,;12.79,-4.29,;14.15,-6.59,;5.72,-3.09,;7.26,-3.09,;4.81,-1.84,;3.36,-2.32,;2.01,-1.55,;2.01,-.01,;3.34,.76,;.68,.75,)| Show InChI InChI=1S/C27H29N7O3/c1-16(28)32-11-9-22(10-12-32)37-24-8-7-23-25(26(24)34(35)36)31-17(2)33(23)15-18-3-4-19-5-6-20(27(29)30)14-21(19)13-18/h3-8,13-14,22,28H,9-12,15H2,1-2H3,(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa |
Bioorg Med Chem Lett 12: 1311-4 (2002)
BindingDB Entry DOI: 10.7270/Q2X066CP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112494
(7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-methy...)Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(C)nc2c1[N+]([O-])=O |(-7.32,-3.83,;-5.99,-4.62,;-5.99,-6.16,;-4.66,-3.85,;-3.33,-4.63,;-1.98,-3.86,;-1.98,-2.33,;-3.33,-1.55,;-4.64,-2.31,;-.65,-1.56,;.68,-2.33,;.68,-3.87,;2.01,-4.64,;3.36,-3.86,;4.81,-4.34,;4.83,-5.88,;6.16,-6.65,;6.16,-8.17,;7.49,-8.94,;8.82,-8.17,;10.16,-8.94,;11.49,-8.17,;11.49,-6.61,;10.13,-5.86,;8.82,-6.63,;7.47,-5.86,;12.81,-5.83,;12.79,-4.29,;14.15,-6.59,;5.72,-3.09,;7.26,-3.09,;4.81,-1.84,;3.36,-2.32,;2.01,-1.55,;2.01,-.01,;3.34,.76,;.68,.75,)| Show InChI InChI=1S/C27H29N7O3/c1-16(28)32-11-9-22(10-12-32)37-24-8-7-23-25(26(24)34(35)36)31-17(2)33(23)15-18-3-4-19-5-6-20(27(29)30)14-21(19)13-18/h3-8,13-14,22,28H,9-12,15H2,1-2H3,(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
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