BDBM285910 3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-7-hydroxy-7-(4-methyl-5-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-1-oxide::US10081617, Example 58::US10081617, Example 59

SMILES: CC(OC(=O)C1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1NC(=O)OC(C)(C)C)C(=O)c1ccc2CCC(=O)Nc2c1

InChI Key: InChIKey=ISCFTEXOABSURD-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 = 285910   

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))	BDBM285910 (3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-7-hydroxy-...) Show SMILES CC(OC(=O)C1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1NC(=O)OC(C)(C)C)C(=O)c1ccc2CCC(=O)Nc2c1 Show InChI InChI=1S/C32H32ClN3O8/c1-17(27(38)19-6-5-18-7-10-26(37)34-25(18)14-19)43-29(39)32(41)12-11-20-13-21(16-36(42)28(20)32)23-15-22(33)8-9-24(23)35-30(40)44-31(2,3)4/h5-6,8-9,13-17,41H,7,10-12H2,1-4H3,(H,34,37)(H,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	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))	BDBM285910 (3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-7-hydroxy-...) Show SMILES CC(OC(=O)C1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1NC(=O)OC(C)(C)C)C(=O)c1ccc2CCC(=O)Nc2c1 Show InChI InChI=1S/C32H32ClN3O8/c1-17(27(38)19-6-5-18-7-10-26(37)34-25(18)14-19)43-29(39)32(41)12-11-20-13-21(16-36(42)28(20)32)23-15-22(33)8-9-24(23)35-30(40)44-31(2,3)4/h5-6,8-9,13-17,41H,7,10-12H2,1-4H3,(H,34,37)(H,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	76.9	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