null

SMILES: COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cc-2ccn3)c2ccc(c[n+]2[O-])-c2c(F)ccc(Cl)c2F)c1

InChI Key: InChIKey=FHSHZYQPCHWIHY-NRFANRHFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 357096   

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
Coagulation factor XI (Homo sapiens (Human))	BDBM357096 (US10214512, Example 73) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cc-2ccn3)c2ccc(c[n+]2[O-])-c2c(F)ccc(Cl)c2F)c1 |r| Show InChI InChI=1S/C30H25ClF2N4O4/c1-41-30(39)35-19-7-8-20-17-12-13-34-24(14-17)21(4-2-3-5-27(38)36-25(20)15-19)26-11-6-18(16-37(26)40)28-23(32)10-9-22(31)29(28)33/h6-16,21H,2-5H2,1H3,(H,35,39)(H,36,38)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.340	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
Kallikrein-1 (Homo sapiens (Human))	BDBM357096 (US10214512, Example 73) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cc-2ccn3)c2ccc(c[n+]2[O-])-c2c(F)ccc(Cl)c2F)c1 |r| Show InChI InChI=1S/C30H25ClF2N4O4/c1-41-30(39)35-19-7-8-20-17-12-13-34-24(14-17)21(4-2-3-5-27(38)36-25(20)15-19)26-11-6-18(16-37(26)40)28-23(32)10-9-22(31)29(28)33/h6-16,21H,2-5H2,1H3,(H,35,39)(H,36,38)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.08	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