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PDB code 4ISH

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 VII

  (55/55 = 100%)
(Homo sapiens (Human))
BDBM50437438
PNG
(CHEMBL2409314)
Show SMILES COc1cc([C@@H]2Nc3ccc(cc3[C@@H]3[C@H]2Cc2ccccc32)C(N)=N)c(cc1O)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C31H27N3O4/c1-38-27-15-22(21(14-26(27)35)16-6-8-17(9-7-16)31(36)37)29-24-12-18-4-2-3-5-20(18)28(24)23-13-19(30(32)33)10-11-25(23)34-29/h2-11,13-15,24,28-29,34-35H,12H2,1H3,(H3,32,33)(H,36,37)/t24-,28-,29+/m1/s1
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Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human coagulation factor 7A


Bioorg Med Chem Lett 23: 2432-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.013
BindingDB Entry DOI: 10.7270/Q2R78GN6
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