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BDBM189425 US9174974, Example 10

SMILES: C[C@H]1COC(=O)Nc2ccc([C@@H](CC(F)F)C(O)=O)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2

InChI Key: InChIKey=VORDOLJPJWNPOM-OEMZGTKINA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 189425   
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))
BDBM189425
PNG
(US9174974, Example 10)
Show SMILES C[C@H]1COC(=O)Nc2ccc([C@@H](CC(F)F)C(O)=O)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C34H34F3N5O5/c1-17-10-19-4-7-23(17)18(2)16-47-34(46)41-21-5-8-24(27(33(44)45)13-29(36)37)20(11-21)15-42(3)32(43)30(19)40-22-6-9-25-26(12-22)28(35)14-39-31(25)38/h4-12,14,18,27,29-30,40H,13,15-16H2,1-3H3,(H2,38,39)(H,41,46)(H,44,45)/t18-,27+,30+/s2
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PC cid
PC sid
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US Patent
0.900n/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))
BDBM189425
PNG
(US9174974, Example 10)
Show SMILES C[C@H]1COC(=O)Nc2ccc([C@@H](CC(F)F)C(O)=O)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C34H34F3N5O5/c1-17-10-19-4-7-23(17)18(2)16-47-34(46)41-21-5-8-24(27(33(44)45)13-29(36)37)20(11-21)15-42(3)32(43)30(19)40-22-6-9-25-26(12-22)28(35)14-39-31(25)38/h4-12,14,18,27,29-30,40H,13,15-16H2,1-3H3,(H2,38,39)(H,41,46)(H,44,45)/t18-,27+,30+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
320n/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