null

SMILES: NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C1CCCCC1

InChI Key: InChIKey=KILCOSZSKDUQMQ-RWCURPEWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339895   

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))	BDBM339895 (US9758480, 50) Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C1CCCCC1 |r,wU:7.10,16.18,wD:15.35,4.3,(-9.53,-11.25,;-8.19,-12.02,;-8.19,-13.56,;-9.53,-14.33,;-6.86,-11.25,;-5.53,-12.02,;-4.19,-11.25,;-4.19,-9.71,;-5.53,-8.94,;-6.86,-9.71,;-2.86,-8.94,;-1.53,-9.71,;-2.86,-7.4,;-4.11,-6.49,;-3.63,-5.03,;-2.09,-5.03,;-1.61,-6.49,;-.28,-7.26,;-.28,-8.8,;1.05,-6.49,;2.39,-7.26,;2.39,-8.8,;3.72,-9.57,;5.05,-8.8,;6.52,-9.28,;7.42,-8.03,;6.52,-6.79,;5.05,-7.26,;3.72,-6.49,;8.96,-8.03,;9.73,-6.7,;9.73,-9.37,;-1.32,-3.7,;.22,-3.7,;.99,-2.36,;.22,-1.03,;-1.32,-1.03,;-2.09,-2.36,)| Show InChI InChI=1S/C29H38FN3O5/c30-16-23(31)18-6-8-19(9-7-18)28(35)33-13-12-22(17-4-2-1-3-5-17)26(33)27(34)32-21-10-11-24-20(14-21)15-25(38-24)29(36)37/h10-11,14-15,17-19,22-23,26H,1-9,12-13,16,31H2,(H,32,34)(H,36,37)/t18-,19-,22-,23?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description 0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...				US Patent US9758480 (2017) BindingDB Entry DOI: 10.7270/Q2D50Q33
					More data for this Ligand-Target Pair