Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50250481'   

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))	BDBM50250481 (CHEMBL4084801) Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3C(=O)N2CCOCC2)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 Show InChI InChI=1S/C32H28ClN7O6/c33-22-7-10-27(40-19-34-36-37-40)21(18-22)6-11-28(41)39-13-12-24-25(2-1-3-26(24)31(43)38-14-16-46-17-15-38)29(39)30(42)35-23-8-4-20(5-9-23)32(44)45/h1-11,18-19,29H,12-17H2,(H,35,42)(H,44,45)/b11-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	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 factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
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