Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM246296'   

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))	BDBM246296 (US10183932, Example 202 | US9434690, 202 | US98221...) Show SMILES OC(=O)c1ccc(NC(=O)C(C[C@@H]2CCCCO2)n2cc(Cl)c(cc2=O)-c2cc(Cl)ccc2C#N)cc1 |r| Show InChI InChI=1S/C27H23Cl2N3O5/c28-18-7-4-17(14-30)21(11-18)22-13-25(33)32(15-23(22)29)24(12-20-3-1-2-10-37-20)26(34)31-19-8-5-16(6-9-19)27(35)36/h4-9,11,13,15,20,24H,1-3,10,12H2,(H,31,34)(H,35,36)/t20-,24?/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	2.90	n/a	n/a	n/a	n/a	7.4	25
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US9434690 (2016) BindingDB Entry DOI: 10.7270/Q2K936FF
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM246296 (US10183932, Example 202 | US9434690, 202 | US98221...) Show SMILES OC(=O)c1ccc(NC(=O)C(C[C@@H]2CCCCO2)n2cc(Cl)c(cc2=O)-c2cc(Cl)ccc2C#N)cc1 |r| Show InChI InChI=1S/C27H23Cl2N3O5/c28-18-7-4-17(14-30)21(11-18)22-13-25(33)32(15-23(22)29)24(12-20-3-1-2-10-37-20)26(34)31-19-8-5-16(6-9-19)27(35)36/h4-9,11,13,15,20,24H,1-3,10,12H2,(H,31,34)(H,35,36)/t20-,24?/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	2.90	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...				US Patent US9822102 (2017) BindingDB Entry DOI: 10.7270/Q2FN18G5
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM246296 (US10183932, Example 202 | US9434690, 202 | US98221...) Show SMILES OC(=O)c1ccc(NC(=O)C(C[C@@H]2CCCCO2)n2cc(Cl)c(cc2=O)-c2cc(Cl)ccc2C#N)cc1 |r| Show InChI InChI=1S/C27H23Cl2N3O5/c28-18-7-4-17(14-30)21(11-18)22-13-25(33)32(15-23(22)29)24(12-20-3-1-2-10-37-20)26(34)31-19-8-5-16(6-9-19)27(35)36/h4-9,11,13,15,20,24H,1-3,10,12H2,(H,31,34)(H,35,36)/t20-,24?/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	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the factor XIa inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of...				US Patent US10183932 (2019) BindingDB Entry DOI: 10.7270/Q23T9K99
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM246296 (US10183932, Example 202 | US9434690, 202 | US98221...) Show SMILES OC(=O)c1ccc(NC(=O)C(C[C@@H]2CCCCO2)n2cc(Cl)c(cc2=O)-c2cc(Cl)ccc2C#N)cc1 |r| Show InChI InChI=1S/C27H23Cl2N3O5/c28-18-7-4-17(14-30)21(11-18)22-13-25(33)32(15-23(22)29)24(12-20-3-1-2-10-37-20)26(34)31-19-8-5-16(6-9-19)27(35)36/h4-9,11,13,15,20,24H,1-3,10,12H2,(H,31,34)(H,35,36)/t20-,24?/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	82	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the factor XIa inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of...				US Patent US10183932 (2019) BindingDB Entry DOI: 10.7270/Q23T9K99
					More data for this Ligand-Target Pair