Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM335753'   

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))	BDBM335753 (4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-pyrazole-4-ca...) Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cccc2C(N(CCc12)C(=O)c1cnn(c1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C38H34ClFN6O5/c1-44(2)20-18-41-35(47)24-11-9-23(10-12-24)28-5-3-6-30-29(28)17-19-45(34(30)36(48)43-27-15-13-25(14-16-27)38(50)51)37(49)26-21-42-46(22-26)32-8-4-7-31(39)33(32)40/h3-16,21-22,34H,17-20H2,1-2H3,(H,41,47)(H,43,48)(H,50,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9738655 (2017) BindingDB Entry DOI: 10.7270/Q2BG2R3R
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