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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 = 'BDBM50111955'   
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))
BDBM50111955
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C21H20ClN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25)
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MMDB

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PubMed
10n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111955
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C21H20ClN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
42n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair