BDBM345074 US9783530, 19::US9783530, 20::methyl {4-[(2-{5-[5- chloro-2-(1H-tetrazol-1- yl)phenyl]-1- oxidopyridin-2-yl}-3- phenylpropanoyl)amino] bicyclo[2.2.2]oct-1- yl}carbamate

SMILES COC(=O)NC12CCC(CC1)(CC2)NC(=O)C(Cc1ccccc1)c1ccc(c[nH+]1)-c1cc(Cl)ccc1-n1cnnn1

InChI Key InChIKey=YENCYTMZYKXKQX-UHFFFAOYSA-O

Data  3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 345074   

TargetCoagulation factor XI(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345074(US9783530, 19 | US9783530, 20 | methyl {4-[(2-{5-[...)
Affinity DataIC50:  4.10nMAssay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCoagulation factor XI(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345074(US9783530, 19 | US9783530, 20 | methyl {4-[(2-{5-[...)
Affinity DataIC50:  1.00E+3nMAssay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKallikrein-1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM345074(US9783530, 19 | US9783530, 20 | methyl {4-[(2-{5-[...)
Affinity DataIC50:  9.20nMAssay Description:Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent