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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 = 'BDBM50081009'   
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))
BDBM50081009
PNG
(CHEMBL85938 | Thieno[3,2-b]pyridine-2-sulfonic aci...)
Show SMILES Nc1cc2ccnc(N)c2cc1CN1CC[C@H](NS(=O)(=O)c2cc3ncccc3s2)C1=O
Show InChI InChI=1S/C21H20N6O3S2/c22-15-9-12-3-6-25-20(23)14(12)8-13(15)11-27-7-4-16(21(27)28)26-32(29,30)19-10-17-18(31-19)2-1-5-24-17/h1-3,5-6,8-10,16,26H,4,7,11,22H2,(H2,23,25)/t16-/m0/s1
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Article
PubMed
6n/an/an/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


(Bos taurus)
BDBM50081009
PNG
(CHEMBL85938 | Thieno[3,2-b]pyridine-2-sulfonic aci...)
Show SMILES Nc1cc2ccnc(N)c2cc1CN1CC[C@H](NS(=O)(=O)c2cc3ncccc3s2)C1=O
Show InChI InChI=1S/C21H20N6O3S2/c22-15-9-12-3-6-25-20(23)14(12)8-13(15)11-27-7-4-16(21(27)28)26-32(29,30)19-10-17-18(31-19)2-1-5-24-17/h1-3,5-6,8-10,16,26H,4,7,11,22H2,(H2,23,25)/t16-/m0/s1
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CHEMBL
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PC sid
UniChem

Patents


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



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex


Bioorg Med Chem Lett 9: 2539-44 (1999)


BindingDB Entry DOI: 10.7270/Q21R6R1B
More data for this
Ligand-Target Pair