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PDB code 3TK6

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 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

  (54/54 = 100%)
(Homo sapiens (Human))
BDBM50338329
PNG
(CHEMBL1681798 | N-(2-{3-[(5-Chlorothiophen-2-yl)ca...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1ccccc1CNC(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C20H19ClN4O2S2/c1-25-9-8-14-16(11-25)29-20(24-14)19(27)23-13-5-3-2-4-12(13)10-22-18(26)15-6-7-17(21)28-15/h2-7H,8-11H2,1H3,(H,22,26)(H,23,27)
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Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X

  (54/54 = 100%)
(Homo sapiens (Human))
BDBM50338329
PNG
(CHEMBL1681798 | N-(2-{3-[(5-Chlorothiophen-2-yl)ca...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1ccccc1CNC(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C20H19ClN4O2S2/c1-25-9-8-14-16(11-25)29-20(24-14)19(27)23-13-5-3-2-4-12(13)10-22-18(26)15-6-7-17(21)28-15/h2-7H,8-11H2,1H3,(H,22,26)(H,23,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of factor 10a by S2222 chromogenic substrate assay by chromogenic assay


Bioorg Med Chem 19: 1623-42 (2011)


Article DOI: 10.1016/j.bmc.2011.01.035
BindingDB Entry DOI: 10.7270/Q22F7NR3
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