BDBM357166 US10214512, Example 122::US10214512, Example 125

SMILES: COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCCCC(=O)Nc2c1)c1ccc(c[n+]1[O-])-c1c(F)cccc1C(F)(F)F

InChI Key:

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 357166   

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))	BDBM357166 (US10214512, Example 122 | US10214512, Example 125) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCCCC(=O)Nc2c1)c1ccc(c[n+]1[O-])-c1c(F)cccc1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.110	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
Coagulation factor XI (Homo sapiens (Human))	BDBM357166 (US10214512, Example 122 | US10214512, Example 125) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCCCC(=O)Nc2c1)c1ccc(c[n+]1[O-])-c1c(F)cccc1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.360	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))	BDBM357166 (US10214512, Example 122 | US10214512, Example 125) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCCCC(=O)Nc2c1)c1ccc(c[n+]1[O-])-c1c(F)cccc1C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.430	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
Kallikrein 1 (Homo sapiens (Human))	BDBM357166 (US10214512, Example 122 | US10214512, Example 125) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCCCC(=O)Nc2c1)c1ccc(c[n+]1[O-])-c1c(F)cccc1C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.96	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