Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM304216'   

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))	BDBM304216 (2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19ClF6N2O5/c27-18-6-8-20(40-25(29)30)21(22(18)28)13-3-7-19(35(39)11-13)16(9-14-10-17(14)26(31,32)33)23(36)34-15-4-1-12(2-5-15)24(37)38/h1-8,11,14,16-17,25H,9-10H2,(H,34,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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))	BDBM304216 (2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19ClF6N2O5/c27-18-6-8-20(40-25(29)30)21(22(18)28)13-3-7-19(35(39)11-13)16(9-14-10-17(14)26(31,32)33)23(36)34-15-4-1-12(2-5-15)24(37)38/h1-8,11,14,16-17,25H,9-10H2,(H,34,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	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))	BDBM304216 (2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19ClF6N2O5/c27-18-6-8-20(40-25(29)30)21(22(18)28)13-3-7-19(35(39)11-13)16(9-14-10-17(14)26(31,32)33)23(36)34-15-4-1-12(2-5-15)24(37)38/h1-8,11,14,16-17,25H,9-10H2,(H,34,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	102	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))	BDBM304216 (2-(1-((4- carboxyphenyl)amino)-1- oxo-3-(2- (trifl...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2C(F)(F)F)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19ClF6N2O5/c27-18-6-8-20(40-25(29)30)21(22(18)28)13-3-7-19(35(39)11-13)16(9-14-10-17(14)26(31,32)33)23(36)34-15-4-1-12(2-5-15)24(37)38/h1-8,11,14,16-17,25H,9-10H2,(H,34,36)(H,37,38)	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