BDBM285916 7-[5-(4- chlorophenyl)-1,3,4- oxadiazol-2-yl]-3-[5- chloro-2-(1H- tetrazol-1-yl)phenyl]- 6,7-dihydro-5H- cyclopenta[b]pyridin- 7-ol 1-oxide::US10081617, Example 63

SMILES: OC1(CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1)c1nnc(o1)-c1ccc(Cl)cc1

InChI Key: InChIKey=NIOFIYLCSCEGSE-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 285916   

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))	BDBM285916 (7-[5-(4- chlorophenyl)-1,3,4- oxadiazol-2-yl]-3-[5...) Show SMILES OC1(CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1)c1nnc(o1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H15Cl2N7O3/c24-16-3-1-13(2-4-16)21-27-28-22(35-21)23(33)8-7-14-9-15(11-32(34)20(14)23)18-10-17(25)5-6-19(18)31-12-26-29-30-31/h1-6,9-12,33H,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	343	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