Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM335985'   

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))	BDBM335985 (4-(2-(5-amino-1-(3-chloro- 2-fluorophenyl)-1H- pyr...) Show SMILES CN1CCN(CC1)c1cccc2C(N(CCc12)C(=O)c1cnn(c1N)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C32H31ClFN7O4/c1-38-14-16-39(17-15-38)25-6-2-4-22-21(25)12-13-40(28(22)30(42)37-20-10-8-19(9-11-20)32(44)45)31(43)23-18-36-41(29(23)35)26-7-3-5-24(33)27(26)34/h2-11,18,28H,12-17,35H2,1H3,(H,37,42)(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20.9	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 US9738655 (2017) BindingDB Entry DOI: 10.7270/Q2BG2R3R
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