Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM222995'   

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))	BDBM222995 (US9315519, 18) Show SMILES CN1CCN(C(=O)C1)c1cccc2[C@H](N(CCc12)C(=O)C1CC2(C1)CCN(CC2)C(N)=N)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C32H39N7O5/c1-36-15-16-38(26(40)19-36)25-4-2-3-24-23(25)9-12-39(27(24)28(41)35-22-7-5-20(6-8-22)30(43)44)29(42)21-17-32(18-21)10-13-37(14-11-32)31(33)34/h2-8,21,27H,9-19H2,1H3,(H3,33,34)(H,35,41)(H,43,44)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	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 US9315519 (2016) BindingDB Entry DOI: 10.7270/Q2BC3XFN
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