Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM304092'   

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))	BDBM304092 ((R)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...) Show SMILES OC(=O)c1ccc(NC(=O)[C@@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |r| Show InChI InChI=1S/C25H20ClF3N2O5/c26-18-8-10-20(36-25(28)29)21(22(18)27)15-5-9-19(31(35)12-15)17(11-13-1-2-13)23(32)30-16-6-3-14(4-7-16)24(33)34/h3-10,12-13,17,25H,1-2,11H2,(H,30,32)(H,33,34)/t17-/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	2.10	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))	BDBM304092 ((R)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...) Show SMILES OC(=O)c1ccc(NC(=O)[C@@H](CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |r| Show InChI InChI=1S/C25H20ClF3N2O5/c26-18-8-10-20(36-25(28)29)21(22(18)27)15-5-9-19(31(35)12-15)17(11-13-1-2-13)23(32)30-16-6-3-14(4-7-16)24(33)34/h3-10,12-13,17,25H,1-2,11H2,(H,30,32)(H,33,34)/t17-/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	>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