Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50250477'   

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))	BDBM50250477 (CHEMBL4081328) Show SMILES Cc1ccc2CCN(C(C(=O)Nc3ccc(cc3)C(O)=O)c2c1)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C28H23ClN6O4/c1-17-2-3-18-12-13-34(25(36)11-6-20-15-21(29)7-10-24(20)35-16-30-32-33-35)26(23(18)14-17)27(37)31-22-8-4-19(5-9-22)28(38)39/h2-11,14-16,26H,12-13H2,1H3,(H,31,37)(H,38,39)/b11-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	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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