BDBM285902 7-(4-(5-carboxy-4-fluorothiophene-3-yl)-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 50::US10081617, Example 51

SMILES: COC(=O)c1scc(C(=O)COC(=O)C2(O)CCC3=C2[N]([O-])=CC(=C3)c2cc(Cl)ccc2NC(=O)OC(C)(C)C)c1F

InChI Key: InChIKey=DTSNAHSVFLYRLF-UHFFFAOYSA-N

Data: 2 IC50

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 = 285902   

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))	BDBM285902 (7-(4-(5-carboxy-4-fluorothiophene-3-yl)-1H-imidazo...) Show SMILES COC(=O)c1scc(C(=O)COC(=O)C2(O)CCC3=C2[N]([O-])=CC(=C3)c2cc(Cl)ccc2NC(=O)OC(C)(C)C)c1F |c:18,22,24| Show InChI InChI=1S/C28H26ClFN2O9S/c1-27(2,3)41-26(36)31-19-6-5-16(29)10-17(19)15-9-14-7-8-28(37,23(14)32(38)11-15)25(35)40-12-20(33)18-13-42-22(21(18)30)24(34)39-4/h5-6,9-11,13,37H,7-8,12H2,1-4H3,(H-,31,36,38)/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21.4	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
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285902 (7-(4-(5-carboxy-4-fluorothiophene-3-yl)-1H-imidazo...) Show SMILES COC(=O)c1scc(C(=O)COC(=O)C2(O)CCC3=C2[N]([O-])=CC(=C3)c2cc(Cl)ccc2NC(=O)OC(C)(C)C)c1F |c:18,22,24| Show InChI InChI=1S/C28H26ClFN2O9S/c1-27(2,3)41-26(36)31-19-6-5-16(29)10-17(19)15-9-14-7-8-28(37,23(14)32(38)11-15)25(35)40-12-20(33)18-13-42-22(21(18)30)24(34)39-4/h5-6,9-11,13,37H,7-8,12H2,1-4H3,(H-,31,36,38)/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.440	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
					More data for this Ligand-Target Pair