null

SMILES: N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(F)c1)C1CCCCC1

InChI Key: InChIKey=AHZIRTQWJBIMGR-WYTXHROQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339911   

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))	BDBM339911 (US9758480, 137) Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(F)c1)C1CCCCC1 |r,wU:16.18,15.40,7.10,1.0,wD:4.3,(-11.29,-28.71,;-9.96,-29.48,;-9.96,-31.02,;-11.29,-31.79,;-8.62,-28.71,;-7.29,-29.48,;-5.96,-28.71,;-5.96,-27.17,;-7.29,-26.4,;-8.62,-27.17,;-4.62,-26.4,;-3.29,-27.17,;-4.62,-24.86,;-5.87,-23.95,;-5.39,-22.49,;-3.85,-22.49,;-3.38,-23.95,;-2.04,-24.72,;-2.04,-26.26,;-.71,-23.95,;.62,-24.72,;.62,-26.26,;1.96,-27.03,;3.29,-26.26,;4.62,-27.03,;4.62,-28.57,;5.96,-26.26,;7.29,-27.03,;8.62,-26.26,;9.96,-27.03,;11.29,-26.26,;11.29,-24.72,;9.96,-23.95,;8.62,-24.72,;3.29,-24.72,;4.62,-23.95,;1.96,-23.95,;-2.77,-21.4,;-3.16,-19.91,;-2.07,-18.82,;-.59,-19.22,;-.19,-20.71,;-1.28,-21.8,)| Show InChI InChI=1S/C34H44F2N4O3/c35-20-30(37)24-11-13-25(14-12-24)34(43)40-18-17-27(23-9-5-2-6-10-23)31(40)33(42)39-26-15-16-28(29(36)19-26)32(41)38-21-22-7-3-1-4-8-22/h1,3-4,7-8,15-16,19,23-25,27,30-31H,2,5-6,9-14,17-18,20-21,37H2,(H,38,41)(H,39,42)/t24-,25-,27-,30+,31-/m0/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	380	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