Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50197525'   

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))	BDBM50197525 (CHEMBL3948388) Show SMILES Oc1cc(=O)[nH]c2ccc(cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc2cc(Cl)ccc2[nH]c1=O |r| Show InChI InChI=1S/C29H23ClN4O5/c30-20-7-9-22-18(12-20)11-19(28(38)33-22)15-31-29(39)24(10-16-4-2-1-3-5-16)34-27(37)17-6-8-23-21(13-17)25(35)14-26(36)32-23/h1-9,11-14,24H,10,15H2,(H,31,39)(H,33,38)(H,34,37)(H2,32,35,36)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyroGlu-Pro-Arg-pNA.HCl substrate				J Med Chem 60: 89-99 (2017) Article DOI: 10.1021/acs.jmedchem.6b01123 BindingDB Entry DOI: 10.7270/Q2R78H5B
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