BDBM285853 Methyl [4-(2-{3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]-1-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl}-1H-imidazol-4-yl)phenyl]carbamate::US10081617, Example 1

SMILES C[Si](C)(C)CCOCCl.OC(=O)C1CCc2cc(Br)cnc12.COC(=O)Nc1ccc(cc1)C(=O)CCl.CC1(C)OB(OC1(C)C)c1cc(Cl)ccc1N.COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C1CCc2cc(Br)cnc12.COC(=O)Nc1ccc(cc1)C(=O)COC(=O)C1CCc2cc(Br)cnc12.COC(=O)Nc1ccc(cc1)-c1cnc(C2CCc3cc(Br)cnc23)n1COCC[Si](C)(C)C.COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C1CCc2cc(cnc12)-c1cc(Cl)ccc1-n1cnnn1.COC(=O)Nc1ccc(cc1)-c1cnc(C2CCc3cc(cnc23)-c2cc(Cl)ccc2N)n1COCC[Si](C)(C)C.COC(=O)Nc1ccc(cc1)-c1cnc(C2CCc3cc(cnc23)-c2cc(Cl)ccc2-n2cnnn2)n1COCC[Si](C)(C)C.COC(=O)Nc1ccc(cc1)-c1cnc(C2CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cnnn2)n1COCC[Si](C)(C)C

InChI Key InChIKey=WYLGCTCALZEFTC-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 285853   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM285853(US10081617, Example 1 | Methyl [4-(2-{3-[5-chloro-...)
Affinity DataIC50: 0.380nMpH: 7.4Assay 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
In Depth
Date in BDB:
1/12/2019
Entry Details
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