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PDB code 1NFW

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   
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

  (254/254 = 100%)
(Homo sapiens (Human))
BDBM12596
PNG
(4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1...)
Show SMILES Clc1ccc(C=CS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)s1
Show InChI InChI=1S/C18H17ClN4O3S2/c19-17-2-1-15(27-17)4-8-28(25,26)23-7-6-22(18(24)12-23)11-14-9-13-10-20-5-3-16(13)21-14/h1-5,8-10,21H,6-7,11-12H2/b8-4+
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1.10 -50.6n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 46: 685-90 (2003)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q2VH5M2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X

  (254/254 = 100%)
(Homo sapiens (Human))
BDBM12596
PNG
(4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1...)
Show SMILES Clc1ccc(C=CS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)s1
Show InChI InChI=1S/C18H17ClN4O3S2/c19-17-2-1-15(27-17)4-8-28(25,26)23-7-6-22(18(24)12-23)11-14-9-13-10-20-5-3-16(13)21-14/h1-5,8-10,21H,6-7,11-12H2/b8-4+
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1.10n/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
3D
3D Structure (crystal)
Coagulation factor X

  (254/254 = 100%)
(Homo sapiens (Human))
BDBM12596
PNG
(4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1...)
Show SMILES Clc1ccc(C=CS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)s1
Show InChI InChI=1S/C18H17ClN4O3S2/c19-17-2-1-15(27-17)4-8-28(25,26)23-7-6-22(18(24)12-23)11-14-9-13-10-20-5-3-16(13)21-14/h1-5,8-10,21H,6-7,11-12H2/b8-4+
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1.10n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity (in vitro) of the compound towards human Coagulation factor X was determined at 5 mg/kg peroral dose


J Med Chem 46: 681-4 (2003)


Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output