Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM304105'   

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))	BDBM304105 ((S)- or (R)-4-[(2-{5-[3-chloro-6- (difluoromethoxy...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H22ClF3N2O5/c27-19-9-11-21(37-26(29)30)22(23(19)28)16-6-10-20(32(36)13-16)18(12-14-2-1-3-14)24(33)31-17-7-4-15(5-8-17)25(34)35/h4-11,13-14,18,26H,1-3,12H2,(H,31,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	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))	BDBM304105 ((S)- or (R)-4-[(2-{5-[3-chloro-6- (difluoromethoxy...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CCC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H22ClF3N2O5/c27-19-9-11-21(37-26(29)30)22(23(19)28)16-6-10-20(32(36)13-16)18(12-14-2-1-3-14)24(33)31-17-7-4-15(5-8-17)25(34)35/h4-11,13-14,18,26H,1-3,12H2,(H,31,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47	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