Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM170408'   

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))	BDBM170408 (US9079929, 34) Show SMILES CC(=O)Nc1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C29H24ClN7O5/c1-17(38)32-24-4-2-3-23-22(24)13-14-36(27(23)28(40)33-21-9-5-18(6-10-21)29(41)42)26(39)12-7-19-15-20(30)8-11-25(19)37-16-31-34-35-37/h2-12,15-16,27H,13-14H2,1H3,(H,32,38)(H,33,40)(H,41,42)/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	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 Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
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Coagulation factor XI (Homo sapiens (Human))	BDBM170408 (US9079929, 34) Show SMILES CC(=O)Nc1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C29H24ClN7O5/c1-17(38)32-24-4-2-3-23-22(24)13-14-36(27(23)28(40)33-21-9-5-18(6-10-21)29(41)42)26(39)12-7-19-15-20(30)8-11-25(19)37-16-31-34-35-37/h2-12,15-16,27H,13-14H2,1H3,(H,32,38)(H,33,40)(H,41,42)/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	21.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US9079929 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z82
					More data for this Ligand-Target Pair