BDBM241589 US9409908, 221::US9951071, Example 221

SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cn[nH]c2NC1=O

InChI Key InChIKey=TWJJMUHZMNPHFS-UHFFFAOYSA-N

Data  5 KI

  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 5 hits for monomerid = 241589   

TargetCoagulation factor XI(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM241589(US9409908, 221 | US9951071, Example 221)
Affinity DataKi:  330nMAssay Description:Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCoagulation factor IX(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM241589(US9409908, 221 | US9951071, Example 221)
Affinity DataKi: >417nMpH: 7.4Assay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/7/2017
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM241589(US9409908, 221 | US9951071, Example 221)
Affinity DataKi: >417nMAssay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2020
Entry Details
Go to US Patent

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM241589(US9409908, 221 | US9951071, Example 221)
Affinity DataKi:  1.32E+3nM ΔG°:  -8.34kcal/moleT: 2°CAssay Description:Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/7/2017
Entry Details
Go to US Patent

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM241589(US9409908, 221 | US9951071, Example 221)
Affinity DataKi:  1.32E+3nMAssay Description:Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2020
Entry Details
Go to US Patent