Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50448606'   

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))	BDBM50448606 (CHEMBL3127468) Show SMILES CC(C)CNC(=O)c1ccc(-c2cccc(c2)[C@@H]2C[C@H](c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O |r| Show InChI InChI=1S/C34H34N4O3/c1-20(2)19-37-33(39)25-11-13-26(29(17-25)34(40)41)22-9-6-10-23(15-22)31-18-27(21-7-4-3-5-8-21)28-16-24(32(35)36)12-14-30(28)38-31/h3-17,20,27,31,38H,18-19H2,1-2H3,(H3,35,36)(H,37,39)(H,40,41)/t27-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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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