Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50331672'   

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))	BDBM50331672 (CHEMBL1289978) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NS(=O)(=O)CCCCCc2[nH]c3ccc(Cl)cc3c2CNC1=O)C1CCCCC1 |r| Show InChI InChI=1S/C28H41ClN4O4S/c1-18(2)15-25-27(34)30-17-22-21-16-20(29)12-13-24(21)31-23(22)11-7-4-8-14-38(36,37)33-26(28(35)32-25)19-9-5-3-6-10-19/h12-13,16,18-19,25-26,31,33H,3-11,14-15,17H2,1-2H3,(H,30,34)(H,32,35)/t25-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description Inhibition of factor 11a				Bioorg Med Chem Lett 20: 6925-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.141 BindingDB Entry DOI: 10.7270/Q237790B
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