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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor VII' and Ligand = 'BDBM50167831'   
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


(Homo sapiens (Human))
BDBM50167831
PNG
(CHEMBL189166 | {2-[(2-{6-[3-Amino-5-((R)-sec-butyl...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)NCC(O)=O)C(N)=N
Show InChI InChI=1S/C31H39N9O6/c1-5-17(4)39-29(44)21-8-20(9-22(32)10-21)24-13-36-28(38-16(2)3)31(46)40(24)15-25(41)35-12-19-7-6-18(27(33)34)11-23(19)30(45)37-14-26(42)43/h6-11,13,16-17H,5,12,14-15,32H2,1-4H3,(H3,33,34)(H,35,41)(H,36,38)(H,37,45)(H,39,44)(H,42,43)/t17-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair