Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM304203'   

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))	BDBM304203 (2-(1-((4- carboxyphenyl)amino)-3-(2- (fluoromethyl...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2CF)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)14-3-8-21(33(37)12-14)19(10-15-9-16(15)11-28)25(34)32-17-4-1-13(2-5-17)26(35)36/h1-8,12,15-16,19,24H,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	0.400	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))	BDBM304203 (2-(1-((4- carboxyphenyl)amino)-3-(2- (fluoromethyl...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2CF)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)14-3-8-21(33(37)12-14)19(10-15-9-16(15)11-28)25(34)32-17-4-1-13(2-5-17)26(35)36/h1-8,12,15-16,19,24H,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	0.400	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))	BDBM304203 (2-(1-((4- carboxyphenyl)amino)-3-(2- (fluoromethyl...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2CF)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)14-3-8-21(33(37)12-14)19(10-15-9-16(15)11-28)25(34)32-17-4-1-13(2-5-17)26(35)36/h1-8,12,15-16,19,24H,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	150	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))	BDBM304203 (2-(1-((4- carboxyphenyl)amino)-3-(2- (fluoromethyl...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2CF)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H21ClF4N2O4/c27-20-7-6-18(24(30)31)22(23(20)29)14-3-8-21(33(37)12-14)19(10-15-9-16(15)11-28)25(34)32-17-4-1-13(2-5-17)26(35)36/h1-8,12,15-16,19,24H,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	503	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