Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50191344'   

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))	BDBM50191344 (CHEMBL3951940) Show SMILES C[C@H]1COC(=O)Nc2ccc(-c3ccnn3C)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r| Show InChI InChI=1S/C34H35N7O3/c1-20-15-23-5-8-27(20)21(2)19-44-34(43)39-26-6-9-28(30-12-14-37-41(30)4)24(17-26)18-40(3)33(42)31(23)38-25-7-10-29-22(16-25)11-13-36-32(29)35/h5-17,21,31,38H,18-19H2,1-4H3,(H2,35,36)(H,39,43)/t21-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyroGlu-Pro-Arg-pNA as substrate assessed as release of pNA after 10 to 120 mins by spectrophotometric method				J Med Chem 59: 7125-37 (2016) Article DOI: 10.1021/acs.jmedchem.6b00469 BindingDB Entry DOI: 10.7270/Q2TM7D37
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