Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50448604'   

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))	BDBM50448604 (CHEMBL3127471) Show SMILES CC[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C32H29N3O4/c1-2-32(23-9-4-3-5-10-23)18-28(35-27-14-12-21(29(33)34)17-26(27)32)20-8-6-7-19(15-20)24-13-11-22(30(36)37)16-25(24)31(38)39/h3-17,28,35H,2,18H2,1H3,(H3,33,34)(H,36,37)(H,38,39)/t28-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	830	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 Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis				J Med Chem 57: 955-69 (2014) Article DOI: 10.1021/jm401670x BindingDB Entry DOI: 10.7270/Q2G44RTQ
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