Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM304185'   

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))	BDBM304185 (2-(1-((4- carboxyphenyl)amino)-3- (2,2-difluorocyc...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H18ClF5N2O4/c26-18-7-6-16(22(28)29)20(21(18)27)13-3-8-19(33(37)11-13)17(9-14-10-25(14,30)31)23(34)32-15-4-1-12(2-5-15)24(35)36/h1-8,11,14,17,22H,9-10H2,(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	2	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))	BDBM304185 (2-(1-((4- carboxyphenyl)amino)-3- (2,2-difluorocyc...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H18ClF5N2O4/c26-18-7-6-16(22(28)29)20(21(18)27)13-3-8-19(33(37)11-13)17(9-14-10-25(14,30)31)23(34)32-15-4-1-12(2-5-15)24(35)36/h1-8,11,14,17,22H,9-10H2,(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	2.30	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))	BDBM304185 (2-(1-((4- carboxyphenyl)amino)-3- (2,2-difluorocyc...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H18ClF5N2O4/c26-18-7-6-16(22(28)29)20(21(18)27)13-3-8-19(33(37)11-13)17(9-14-10-25(14,30)31)23(34)32-15-4-1-12(2-5-15)24(35)36/h1-8,11,14,17,22H,9-10H2,(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	65.1	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))	BDBM304185 (2-(1-((4- carboxyphenyl)amino)-3- (2,2-difluorocyc...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H18ClF5N2O4/c26-18-7-6-16(22(28)29)20(21(18)27)13-3-8-19(33(37)11-13)17(9-14-10-25(14,30)31)23(34)32-15-4-1-12(2-5-15)24(35)36/h1-8,11,14,17,22H,9-10H2,(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	132	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