BDBM357110 9-(5-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-1-oxidopyridin-2-yl)-15-fluoro-24-((methoxycarbonyl)amino)-4-oxo-3-aza-1(2,4)-pyridin-1-iuma -2(1,2)-benzenacyclononaphane 11-oxide::US10214512, Example 81-a

SMILES: COC(=O)Nc1ccc-2c(NC(=O)CCCCC(c3cc-2[n+]([O-])cc3F)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cnnn2)c1

InChI Key: InChIKey=OMMREAWBRLWOAO-UHFFFAOYSA-N

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 = 357110   

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))	BDBM357110 (9-(5-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-1-oxido...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCCC(c3cc-2[n+]([O-])cc3F)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cnnn2)c1 Show InChI InChI=1S/C31H26ClFN8O5/c1-46-31(43)35-20-8-9-22-26(13-20)36-30(42)5-3-2-4-21(24-14-29(22)41(45)16-25(24)33)28-10-6-18(15-40(28)44)23-12-19(32)7-11-27(23)39-17-34-37-38-39/h6-17,21H,2-5H2,1H3,(H,35,43)(H,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.140	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))	BDBM357110 (9-(5-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-1-oxido...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCCC(c3cc-2[n+]([O-])cc3F)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cnnn2)c1 Show InChI InChI=1S/C31H26ClFN8O5/c1-46-31(43)35-20-8-9-22-26(13-20)36-30(42)5-3-2-4-21(24-14-29(22)41(45)16-25(24)33)28-10-6-18(15-40(28)44)23-12-19(32)7-11-27(23)39-17-34-37-38-39/h6-17,21H,2-5H2,1H3,(H,35,43)(H,36,42)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.460	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