Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50250476'   

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))	BDBM50250476 (CHEMBL4105579) Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3ccc(cc23)C#N)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 Show InChI InChI=1S/C28H20ClN7O4/c29-21-6-9-24(36-16-31-33-34-36)20(14-21)5-10-25(37)35-12-11-18-2-1-17(15-30)13-23(18)26(35)27(38)32-22-7-3-19(4-8-22)28(39)40/h1-10,13-14,16,26H,11-12H2,(H,32,38)(H,39,40)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	400	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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