Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50250457'   

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))	BDBM50250457 (CHEMBL4099224) Show SMILES Cn1cc2C(N(CCc2n1)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C25H21ClN8O4/c1-32-13-19-20(29-32)10-11-33(23(19)24(36)28-18-6-2-15(3-7-18)25(37)38)22(35)9-4-16-12-17(26)5-8-21(16)34-14-27-30-31-34/h2-9,12-14,23H,10-11H2,1H3,(H,28,36)(H,37,38)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	270	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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