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BDBM189433 US9174974, Example 18

SMILES: C[C@H]1COC(=O)Nc2cc(F)c(OCC3(CC3)[N+]#[C-])c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2

InChI Key: InChIKey=XORTWWXYTDLOGB-IFEFVGPHNA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 189433   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor VII


(Homo sapiens (Human))
BDBM189433
PNG
(US9174974, Example 18)
Show SMILES C[C@H]1COC(=O)Nc2cc(F)c(OCC3(CC3)[N+]#[C-])c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C35H35FN6O4/c1-20-13-23-5-7-27(20)21(2)18-45-34(44)41-26-15-24(31(29(36)16-26)46-19-35(38-3)10-11-35)17-42(4)33(43)30(23)40-25-6-8-28-22(14-25)9-12-39-32(28)37/h5-9,12-16,21,30,40H,10-11,17-19H2,1-2,4H3,(H2,37,39)(H,41,44)/t21-,30+/s2
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MMDB

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PC cid
PC sid
UniChem
US Patent
0.440n/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))
BDBM189433
PNG
(US9174974, Example 18)
Show SMILES C[C@H]1COC(=O)Nc2cc(F)c(OCC3(CC3)[N+]#[C-])c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C35H35FN6O4/c1-20-13-23-5-7-27(20)21(2)18-45-34(44)41-26-15-24(31(29(36)16-26)46-19-35(38-3)10-11-35)17-42(4)33(43)30(23)40-25-6-8-28-22(14-25)9-12-39-32(28)37/h5-9,12-16,21,30,40H,10-11,17-19H2,1-2,4H3,(H2,37,39)(H,41,44)/t21-,30+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
490n/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