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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor VII' and Ligand = 'BDBM189446'   
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))
BDBM189446
PNG
(US9174974, Example 32)
Show SMILES C[C@H]1COC(=O)Nc2cc(F)c(OC(CF)CF)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1S/C33H34F3N5O4/c1-18-10-21-4-6-26(18)19(2)17-44-33(43)40-24-12-22(30(28(36)13-24)45-25(14-34)15-35)16-41(3)32(42)29(21)39-23-5-7-27-20(11-23)8-9-38-31(27)37/h4-13,19,25,29,39H,14-17H2,1-3H3,(H2,37,38)(H,40,43)/t19-,29+/m0/s1
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PC cid
PC sid
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Similars

US Patent
0.150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37° C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V32
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189446
PNG
(US9174974, Example 32)
Show SMILES C[C@H]1COC(=O)Nc2cc(F)c(OC(CF)CF)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1S/C33H34F3N5O4/c1-18-10-21-4-6-26(18)19(2)17-44-33(43)40-24-12-22(30(28(36)13-24)45-25(14-34)15-35)16-41(3)32(42)29(21)39-23-5-7-27-20(11-23)8-9-38-31(27)37/h4-13,19,25,29,39H,14-17H2,1-3H3,(H2,37,38)(H,40,43)/t19-,29+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
41n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Tissue kallikrein-1 (37° C) activity was determined in reactions containing 0.05 nM enzyme and 90 μM substrate (H-D-Val-Leu-Arg-AFC) in buffer (...


US Patent US9174974 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V32
More data for this
Ligand-Target Pair