Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM246272'   

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))	BDBM246272 (US10183932, Example 179 | US9434690, 178 | US94346...) Show SMILES CCC(C(=O)Nc1ccc(C(O)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C24H19ClFN3O5/c1-3-20(23(31)28-15-6-7-16(24(32)33)19(26)9-15)29-12-21(34-2)18(10-22(29)30)17-8-14(25)5-4-13(17)11-27/h4-10,12,20H,3H2,1-2H3,(H,28,31)(H,32,33)	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	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))	BDBM246272 (US10183932, Example 179 | US9434690, 178 | US94346...) Show SMILES CCC(C(=O)Nc1ccc(C(O)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C24H19ClFN3O5/c1-3-20(23(31)28-15-6-7-16(24(32)33)19(26)9-15)29-12-21(34-2)18(10-22(29)30)17-8-14(25)5-4-13(17)11-27/h4-10,12,20H,3H2,1-2H3,(H,28,31)(H,32,33)	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
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))	BDBM246272 (US10183932, Example 179 | US9434690, 178 | US94346...) Show SMILES CCC(C(=O)Nc1ccc(C(O)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C24H19ClFN3O5/c1-3-20(23(31)28-15-6-7-16(24(32)33)19(26)9-15)29-12-21(34-2)18(10-22(29)30)17-8-14(25)5-4-13(17)11-27/h4-10,12,20H,3H2,1-2H3,(H,28,31)(H,32,33)	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
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))	BDBM246272 (US10183932, Example 179 | US9434690, 178 | US94346...) Show SMILES CCC(C(=O)Nc1ccc(C(O)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C24H19ClFN3O5/c1-3-20(23(31)28-15-6-7-16(24(32)33)19(26)9-15)29-12-21(34-2)18(10-22(29)30)17-8-14(25)5-4-13(17)11-27/h4-10,12,20H,3H2,1-2H3,(H,28,31)(H,32,33)	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	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))	BDBM246272 (US10183932, Example 179 | US9434690, 178 | US94346...) Show SMILES CCC(C(=O)Nc1ccc(C(O)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C24H19ClFN3O5/c1-3-20(23(31)28-15-6-7-16(24(32)33)19(26)9-15)29-12-21(34-2)18(10-22(29)30)17-8-14(25)5-4-13(17)11-27/h4-10,12,20H,3H2,1-2H3,(H,28,31)(H,32,33)	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	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))	BDBM246272 (US10183932, Example 179 | US9434690, 178 | US94346...) Show SMILES CCC(C(=O)Nc1ccc(C(O)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C24H19ClFN3O5/c1-3-20(23(31)28-15-6-7-16(24(32)33)19(26)9-15)29-12-21(34-2)18(10-22(29)30)17-8-14(25)5-4-13(17)11-27/h4-10,12,20H,3H2,1-2H3,(H,28,31)(H,32,33)	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	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))	BDBM246272 (US10183932, Example 179 | US9434690, 178 | US94346...) Show SMILES CCC(C(=O)Nc1ccc(C(O)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C24H19ClFN3O5/c1-3-20(23(31)28-15-6-7-16(24(32)33)19(26)9-15)29-12-21(34-2)18(10-22(29)30)17-8-14(25)5-4-13(17)11-27/h4-10,12,20H,3H2,1-2H3,(H,28,31)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	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))	BDBM246272 (US10183932, Example 179 | US9434690, 178 | US94346...) Show SMILES CCC(C(=O)Nc1ccc(C(O)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C24H19ClFN3O5/c1-3-20(23(31)28-15-6-7-16(24(32)33)19(26)9-15)29-12-21(34-2)18(10-22(29)30)17-8-14(25)5-4-13(17)11-27/h4-10,12,20H,3H2,1-2H3,(H,28,31)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	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