Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM304210'   

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))	BDBM304210 (2-(1-((4- carboxyphenyl)amino)-3-(3- fluorocyclobu...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(8,-3.24,;8,-1.7,;9.34,-.93,;6.67,-.93,;5.33,-1.7,;4,-.93,;4,.61,;2.67,1.38,;1.33,.61,;1.33,-.93,;,1.38,;,2.92,;-1.33,3.69,;-2.82,3.29,;-3.22,4.78,;-4.55,5.55,;-1.73,5.18,;-1.33,.61,;-2.67,1.38,;-4,.61,;-4,-.93,;-2.67,-1.7,;-1.33,-.93,;,-1.7,;-5.33,-1.7,;-5.33,-3.24,;-4,-4.01,;-6.67,-4.01,;-6.67,-5.55,;-8,-3.24,;-8,-1.7,;-6.67,-.93,;-6.67,.61,;-8,1.38,;-8,2.92,;-9.34,.61,;5.33,1.38,;6.67,.61,)| Show InChI InChI=1S/C26H21ClF4N2O5/c27-19-6-8-21(38-26(30)31)22(23(19)29)15-3-7-20(33(37)12-15)18(11-13-9-16(28)10-13)24(34)32-17-4-1-14(2-5-17)25(35)36/h1-8,12-13,16,18,26H,9-11H2,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM304210 (2-(1-((4- carboxyphenyl)amino)-3-(3- fluorocyclobu...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(8,-3.24,;8,-1.7,;9.34,-.93,;6.67,-.93,;5.33,-1.7,;4,-.93,;4,.61,;2.67,1.38,;1.33,.61,;1.33,-.93,;,1.38,;,2.92,;-1.33,3.69,;-2.82,3.29,;-3.22,4.78,;-4.55,5.55,;-1.73,5.18,;-1.33,.61,;-2.67,1.38,;-4,.61,;-4,-.93,;-2.67,-1.7,;-1.33,-.93,;,-1.7,;-5.33,-1.7,;-5.33,-3.24,;-4,-4.01,;-6.67,-4.01,;-6.67,-5.55,;-8,-3.24,;-8,-1.7,;-6.67,-.93,;-6.67,.61,;-8,1.38,;-8,2.92,;-9.34,.61,;5.33,1.38,;6.67,.61,)| Show InChI InChI=1S/C26H21ClF4N2O5/c27-19-6-8-21(38-26(30)31)22(23(19)29)15-3-7-20(33(37)12-15)18(11-13-9-16(28)10-13)24(34)32-17-4-1-14(2-5-17)25(35)36/h1-8,12-13,16,18,26H,9-11H2,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
					More data for this Ligand-Target Pair