Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM352323'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor XI (Homo sapiens (Human))	BDBM352323 (US9802939, I-183) Show SMILES CN(C)CCOC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C/CCC(=O)Nc2c1)NC(=O)c1c(F)cc(C)cc1F |c:22| Show InChI InChI=1S/C29H31ClF2N6O4/c1-16-13-19(31)24(20(32)14-16)28(40)35-21-7-5-4-6-8-23(39)34-22-15-17(33-29(41)42-12-11-38(2)3)9-10-18(22)25-26(30)37-27(21)36-25/h4-5,9-10,13-15,21H,6-8,11-12H2,1-3H3,(H,33,41)(H,34,39)(H,35,40)(H,36,37)/b5-4-/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9802939 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q37
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