null

SMILES: COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cc-2ncc3F)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cnnn2)c1

InChI Key: InChIKey=NQHRMYDBUNKTFA-NRFANRHFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 357094   

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))	BDBM357094 (US10214512, Example 71) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cc-2ncc3F)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C31H26ClFN8O4/c1-45-31(43)36-20-8-9-22-26-14-24(25(33)15-34-26)21(4-2-3-5-30(42)37-27(22)13-20)29-10-6-18(16-41(29)44)23-12-19(32)7-11-28(23)40-17-35-38-39-40/h6-17,21H,2-5H2,1H3,(H,36,43)(H,37,42)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM357094 (US10214512, Example 71) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cc-2ncc3F)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C31H26ClFN8O4/c1-45-31(43)36-20-8-9-22-26-14-24(25(33)15-34-26)21(4-2-3-5-30(42)37-27(22)13-20)29-10-6-18(16-41(29)44)23-12-19(32)7-11-28(23)40-17-35-38-39-40/h6-17,21H,2-5H2,1H3,(H,36,43)(H,37,42)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair