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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50123407'   
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))
BDBM50123407
PNG
(2-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2cc(ccc2s1)C(N)=N)S(C)(=O)=O
Show InChI InChI=1S/C24H29N5O3S2/c1-16(25)28-11-9-21(10-12-28)32-20-6-4-19(5-7-20)29(34(2,30)31)15-22-14-18-13-17(24(26)27)3-8-23(18)33-22/h3-8,13-14,21,25H,9-12,15H2,1-2H3,(H3,26,27)
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 53: 6243-74 (2010)


Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50123407
PNG
(2-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2cc(ccc2s1)C(N)=N)S(C)(=O)=O
Show InChI InChI=1S/C24H29N5O3S2/c1-16(25)28-11-9-21(10-12-28)32-20-6-4-19(5-7-20)29(34(2,30)31)15-22-14-18-13-17(24(26)27)3-8-23(18)33-22/h3-8,13-14,21,25H,9-12,15H2,1-2H3,(H3,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound to factor Xa


Bioorg Med Chem Lett 13: 561-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DB816X
More data for this
Ligand-Target Pair