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PDB code 2BZ6

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 VII

  (53/53 = 100%)
(Homo sapiens (human))
BDBM13590
PNG
((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{5-ethoxy-...)
Show SMILES CCOc1cc(O[C@@H]2CCOC2)c(F)c(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19-/m1/s1
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B.MOAD
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DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
81 -40.1n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



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...


Bioorg Med Chem 14: 5357-69 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor VII

  (53/53 = 100%)
(Homo sapiens (human))
BDBM13589
PNG
((4-carbamimidoyl-phenylamino)-[3-ethoxy-2-fluoro-5...)
Show SMILES CCOc1cc(OC2CCOC2)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)
PDB
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UniProtKB/SwissProt

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GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
88 -39.9n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



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...


Bioorg Med Chem 14: 5357-69 (2006)

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