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PDB code 4JYV

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 III/Factor VIIa (fVIIa)

  (55/55 = 100%)
(Homo sapiens (Human))
BDBM50440842
PNG
(CHEMBL2431609)
Show SMILES CCOc1cc(ccc1OC(C)C)[C@@H](Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C28H30N4O7S2/c1-4-38-26-15-20(9-11-25(26)39-18(2)3)27(31-22-10-8-21-17-30-13-12-19(21)14-22)28(33)32-41(36,37)24-7-5-6-23(16-24)40(29,34)35/h5-18,27,31H,4H2,1-3H3,(H,32,33)(H2,29,34,35)/t27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate


Bioorg Med Chem Lett 23: 5244-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor III/Factor VIIa (fVIIa)

  (55/55 = 100%)
(Homo sapiens (Human))
BDBM50440839
PNG
(CHEMBL2431608)
Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C28H30N4O7S2/c1-4-38-26-15-20(9-11-25(26)39-18(2)3)27(31-22-10-8-21-17-30-13-12-19(21)14-22)28(33)32-41(36,37)24-7-5-6-23(16-24)40(29,34)35/h5-18,27,31H,4H2,1-3H3,(H,32,33)(H2,29,34,35)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
32n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate


Bioorg Med Chem Lett 23: 5244-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ
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