BindingDB PrimarySearch

BDBM285900 7-(5-(5-carboxythiophen-3-yl)-4-chloro-1H-imidazol-2-yl)-3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-1-oxide::US10081617, Example 48::US10081617, Example 49

SMILES: COC(=O)c1cc(cs1)-c1[nH]c(nc1Cl)C1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1NC(=O)OC(C)(C)C

InChI Key:

Data: 2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 285900
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Coagulation factor XI (Homo sapiens (Human))	BDBM285900 (7-(5-(5-carboxythiophen-3-yl)-4-chloro-1H-imidazol...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10081617 (2018) BindingDB Entry DOI: 10.7270/Q2CR5WDN
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285900 (7-(5-(5-carboxythiophen-3-yl)-4-chloro-1H-imidazol...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10081617 (2018) BindingDB Entry DOI: 10.7270/Q2CR5WDN
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair