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SMILES: Cc1cc(C(Cc2ccccc2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)ccc(Cl)c1F

InChI Key: InChIKey=YWOOOSNQCNIOEJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 345080   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Kallikrein-1 (Homo sapiens (Human))	BDBM345080 (2-(1-((4-carboxyphenyl)amino)-1-oxo-3-phenylpropan...) Show SMILES Cc1cc(C(Cc2ccccc2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)ccc(Cl)c1F |(-2.57,11.9,;-2.57,10.36,;-1.24,9.59,;-1.24,8.05,;.09,7.28,;.09,5.74,;1.43,4.97,;2.76,5.74,;4.1,4.98,;4.1,3.44,;2.76,2.66,;1.43,3.43,;1.43,8.05,;1.43,9.59,;2.76,7.28,;4.1,8.05,;4.1,9.59,;5.43,10.36,;6.81,9.62,;6.76,8.05,;5.43,7.28,;8.14,10.39,;8.14,11.93,;9.48,9.62,;-2.57,7.28,;-2.57,5.74,;-3.91,8.05,;-3.91,9.59,;-5.24,10.36,;-5.24,11.9,;-3.91,12.67,;-6.57,12.67,;-7.91,11.9,;-7.91,10.36,;-9.24,9.59,;-6.57,9.59,;-6.57,8.05,)| Show InChI InChI=1S/C28H21ClF2N2O4/c1-16-13-24(33(37)15-21(16)25-23(30)12-11-22(29)26(25)31)20(14-17-5-3-2-4-6-17)27(34)32-19-9-7-18(8-10-19)28(35)36/h2-13,15,20H,14H2,1H3,(H,32,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42.3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay 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...				US Patent US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM345080 (2-(1-((4-carboxyphenyl)amino)-1-oxo-3-phenylpropan...) Show SMILES Cc1cc(C(Cc2ccccc2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)ccc(Cl)c1F |(-2.57,11.9,;-2.57,10.36,;-1.24,9.59,;-1.24,8.05,;.09,7.28,;.09,5.74,;1.43,4.97,;2.76,5.74,;4.1,4.98,;4.1,3.44,;2.76,2.66,;1.43,3.43,;1.43,8.05,;1.43,9.59,;2.76,7.28,;4.1,8.05,;4.1,9.59,;5.43,10.36,;6.81,9.62,;6.76,8.05,;5.43,7.28,;8.14,10.39,;8.14,11.93,;9.48,9.62,;-2.57,7.28,;-2.57,5.74,;-3.91,8.05,;-3.91,9.59,;-5.24,10.36,;-5.24,11.9,;-3.91,12.67,;-6.57,12.67,;-7.91,11.9,;-7.91,10.36,;-9.24,9.59,;-6.57,9.59,;-6.57,8.05,)| Show InChI InChI=1S/C28H21ClF2N2O4/c1-16-13-24(33(37)15-21(16)25-23(30)12-11-22(29)26(25)31)20(14-17-5-3-2-4-6-17)27(34)32-19-9-7-18(8-10-19)28(35)36/h2-13,15,20H,14H2,1H3,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.32	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay 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...				US Patent US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair