Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50201263'   

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))	BDBM50201263 (CHEMBL3962367) Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2cc1F)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H37FN4O8S/c1-18(2)47(42,43)29-11-9-21(36-33(41)46-5)15-23(29)26-7-6-12-38(26)32(40)30(19-8-10-27(44-3)28(14-19)45-4)37-25-16-22-20(13-24(25)34)17-35-31(22)39/h8-11,13-16,18,26,30,37H,6-7,12,17H2,1-5H3,(H,35,39)(H,36,41)/t26-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of human coagulation factor-11a				ACS Med Chem Lett 7: 1077-1081 (2016) Article DOI: 10.1021/acsmedchemlett.6b00282 BindingDB Entry DOI: 10.7270/Q2GB2613
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