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PDB code 3ENS

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit 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

  (94/94 = 100%)
(Homo sapiens (Human))
BDBM26357
PNG
(3-chloroindole compound, 18 | methyl (2Z)-3-[(3-ch...)
Show SMILES COC(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2c(Cl)c[nH]c12 |r,w:25.27|
Show InChI InChI=1S/C25H29ClN6O4/c1-36-25(35)17(13-27)23(29-19-9-6-7-16-18(26)14-28-22(16)19)30-20-8-2-3-12-32(24(20)34)15-21(33)31-10-4-5-11-31/h6-7,9,14,17,20,28H,2-5,8,10-12,15H2,1H3,(H,29,30)/t17?,20-/m0/s1
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Article
PubMed
n/an/a 8.90n/an/an/an/a7.422



Bristol-Myers Squibb Company



Assay Description
Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...


J Med Chem 51: 7541-51 (2008)


Article DOI: 10.1021/jm800855x
BindingDB Entry DOI: 10.7270/Q2V12332
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