Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50230328'   

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))	BDBM50230328 (CHEMBL4059685) Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17| Show InChI InChI=1S/C28H28ClN9O3/c1-41-28(40)33-20-9-10-21-23(15-20)30-13-5-3-2-4-6-22(27-31-16-24(21)35-27)34-26(39)12-7-18-14-19(29)8-11-25(18)38-17-32-36-37-38/h2,4,7-12,14-17,22,30H,3,5-6,13H2,1H3,(H,31,35)(H,33,40)(H,34,39)/b4-2+,12-7+/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	514	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method				J Med Chem 60: 1060-1075 (2017) Article DOI: 10.1021/acs.jmedchem.6b01460 BindingDB Entry DOI: 10.7270/Q25D8V31
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