Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50331665'   

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))	BDBM50331665 ((4S,7R,10S)-18-chloro-7-cyclohexyl-4-isobutyl-10-p...) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](C\C=C\Cc2[nH]c3ccc(Cl)cc3c2CNC1=O)c1ccccc1)C1CCCCC1 |r,t:14| Show InChI InChI=1S/C35H43ClN4O3/c1-22(2)19-31-34(42)37-21-28-27-20-25(36)17-18-30(27)38-29(28)16-10-9-15-26(23-11-5-3-6-12-23)33(41)40-32(35(43)39-31)24-13-7-4-8-14-24/h3,5-6,9-12,17-18,20,22,24,26,31-32,38H,4,7-8,13-16,19,21H2,1-2H3,(H,37,42)(H,39,43)(H,40,41)/b10-9+/t26-,31-,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	n/a	n/a	1.36E+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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