Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM335408'   

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))	BDBM335408 (US10717738, Example 290 | US9732085, 290 | methyl[...) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cc(nn1)C#N Show InChI InChI=1S/C28H21ClN8O3/c1-40-28(39)32-19-5-2-16(3-6-19)23-14-31-27(33-23)25-9-7-21-10-17(11-26(38)37(21)25)22-12-18(29)4-8-24(22)36-15-20(13-30)34-35-36/h2-6,8,10-12,14-15,25H,7,9H2,1H3,(H,31,33)(H,32,39)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description Human Factor XIa activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6000, 50 mM HEPES-NaOH (pH7.4) wit...				US Patent US10717738 (2020) BindingDB Entry DOI: 10.7270/Q2X92FBQ
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM335408 (US10717738, Example 290 | US9732085, 290 | methyl[...) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cc(nn1)C#N Show InChI InChI=1S/C28H21ClN8O3/c1-40-28(39)32-19-5-2-16(3-6-19)23-14-31-27(33-23)25-9-7-21-10-17(11-26(38)37(21)25)22-12-18(29)4-8-24(22)36-15-20(13-30)34-35-36/h2-6,8,10-12,14-15,25H,7,9H2,1H3,(H,31,33)(H,32,39)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6...				US Patent US9732085 (2017) BindingDB Entry DOI: 10.7270/Q25X2C2P
					More data for this Ligand-Target Pair