BDBM189450 US9174974, Example 36

SMILES Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)ccnc5N)C)C6(CC6)c7[nH]nnn7)C

InChI Key InChIKey=YSEANFNTDGIIGS-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 189450   

TargetCoagulation factor VII(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM189450(US9174974, Example 36)
Affinity DataKi:  0.120nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2016
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetCoagulation factor VII(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM189450(US9174974, Example 36)
Affinity DataKi:  230nMpH: 7.4Assay 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 (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2016
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)