BDBM357031 (Z)-5-(5-Chloro-2-(1H-tetrazol-1-yl)phenyl)-2-(25-fluoro-4-oxo-11h-3-aza -1(4,2)-imidazola-2(1,2)-benzenacyclononaphane-9-yl)pyridine 1-oxide::US10214512, Example 11-a

SMILES: [O-][n+]1cc(ccc1C1CCCCC(=O)Nc2ccc(F)cc2-c2c[nH]c1n2)-c1cc(Cl)ccc1-n1cnnn1

InChI Key:

Data: 2 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 2 hits for monomerid = 357031   

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))	BDBM357031 ((Z)-5-(5-Chloro-2-(1H-tetrazol-1-yl)phenyl)-2-(25-...) Show SMILES [O-][n+]1cc(ccc1C1CCCCC(=O)Nc2ccc(F)cc2-c2c[nH]c1n2)-c1cc(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.220	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))	BDBM357031 ((Z)-5-(5-Chloro-2-(1H-tetrazol-1-yl)phenyl)-2-(25-...) Show SMILES [O-][n+]1cc(ccc1C1CCCCC(=O)Nc2ccc(F)cc2-c2c[nH]c1n2)-c1cc(Cl)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.12	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