BDBM246208 US10183932, Example 115::US9434690, 113::US9434690, 114::US9434690, 115::US9822102, Example 115

SMILES: COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N

InChI Key: InChIKey=PPOMRFJZWPHFPA-UHFFFAOYSA-N

Data: 15 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 246208   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor XI (Homo sapiens (Human))	BDBM246208 (US10183932, Example 115 | US9434690, 113 | US94346...) Show SMILES COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClF2N3O5/c1-37-22-13-32(23(33)10-20(22)19-9-17(27)5-2-15(19)12-30)21(8-16-11-26(16,28)29)24(34)31-18-6-3-14(4-7-18)25(35)36/h2-7,9-10,13,16,21H,8,11H2,1H3,(H,31,34)(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	4.30	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
Plasma kallikrein (Homo sapiens (Human))	BDBM246208 (US10183932, Example 115 | US9434690, 113 | US94346...) Show SMILES COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClF2N3O5/c1-37-22-13-32(23(33)10-20(22)19-9-17(27)5-2-15(19)12-30)21(8-16-11-26(16,28)29)24(34)31-18-6-3-14(4-7-18)25(35)36/h2-7,9-10,13,16,21H,8,11H2,1H3,(H,31,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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))	BDBM246208 (US10183932, Example 115 | US9434690, 113 | US94346...) Show SMILES COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClF2N3O5/c1-37-22-13-32(23(33)10-20(22)19-9-17(27)5-2-15(19)12-30)21(8-16-11-26(16,28)29)24(34)31-18-6-3-14(4-7-18)25(35)36/h2-7,9-10,13,16,21H,8,11H2,1H3,(H,31,34)(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	600	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
Plasma kallikrein (Homo sapiens (Human))	BDBM246208 (US10183932, Example 115 | US9434690, 113 | US94346...) Show SMILES COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClF2N3O5/c1-37-22-13-32(23(33)10-20(22)19-9-17(27)5-2-15(19)12-30)21(8-16-11-26(16,28)29)24(34)31-18-6-3-14(4-7-18)25(35)36/h2-7,9-10,13,16,21H,8,11H2,1H3,(H,31,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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
Plasma kallikrein (Homo sapiens (Human))	BDBM246208 (US10183932, Example 115 | US9434690, 113 | US94346...) Show SMILES COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClF2N3O5/c1-37-22-13-32(23(33)10-20(22)19-9-17(27)5-2-15(19)12-30)21(8-16-11-26(16,28)29)24(34)31-18-6-3-14(4-7-18)25(35)36/h2-7,9-10,13,16,21H,8,11H2,1H3,(H,31,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	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))	BDBM246208 (US10183932, Example 115 | US9434690, 113 | US94346...) Show SMILES COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClF2N3O5/c1-37-22-13-32(23(33)10-20(22)19-9-17(27)5-2-15(19)12-30)21(8-16-11-26(16,28)29)24(34)31-18-6-3-14(4-7-18)25(35)36/h2-7,9-10,13,16,21H,8,11H2,1H3,(H,31,34)(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	4.30	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))	BDBM246208 (US10183932, Example 115 | US9434690, 113 | US94346...) Show SMILES COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClF2N3O5/c1-37-22-13-32(23(33)10-20(22)19-9-17(27)5-2-15(19)12-30)21(8-16-11-26(16,28)29)24(34)31-18-6-3-14(4-7-18)25(35)36/h2-7,9-10,13,16,21H,8,11H2,1H3,(H,31,34)(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	600	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))	BDBM246208 (US10183932, Example 115 | US9434690, 113 | US94346...) Show SMILES COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClF2N3O5/c1-37-22-13-32(23(33)10-20(22)19-9-17(27)5-2-15(19)12-30)21(8-16-11-26(16,28)29)24(34)31-18-6-3-14(4-7-18)25(35)36/h2-7,9-10,13,16,21H,8,11H2,1H3,(H,31,34)(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	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))	BDBM246208 (US10183932, Example 115 | US9434690, 113 | US94346...) Show SMILES COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClF2N3O5/c1-37-22-13-32(23(33)10-20(22)19-9-17(27)5-2-15(19)12-30)21(8-16-11-26(16,28)29)24(34)31-18-6-3-14(4-7-18)25(35)36/h2-7,9-10,13,16,21H,8,11H2,1H3,(H,31,34)(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	39	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))	BDBM246208 (US10183932, Example 115 | US9434690, 113 | US94346...) Show SMILES COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClF2N3O5/c1-37-22-13-32(23(33)10-20(22)19-9-17(27)5-2-15(19)12-30)21(8-16-11-26(16,28)29)24(34)31-18-6-3-14(4-7-18)25(35)36/h2-7,9-10,13,16,21H,8,11H2,1H3,(H,31,34)(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	16	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))	BDBM246208 (US10183932, Example 115 | US9434690, 113 | US94346...) Show SMILES COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClF2N3O5/c1-37-22-13-32(23(33)10-20(22)19-9-17(27)5-2-15(19)12-30)21(8-16-11-26(16,28)29)24(34)31-18-6-3-14(4-7-18)25(35)36/h2-7,9-10,13,16,21H,8,11H2,1H3,(H,31,34)(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	4.30	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))	BDBM246208 (US10183932, Example 115 | US9434690, 113 | US94346...) Show SMILES COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClF2N3O5/c1-37-22-13-32(23(33)10-20(22)19-9-17(27)5-2-15(19)12-30)21(8-16-11-26(16,28)29)24(34)31-18-6-3-14(4-7-18)25(35)36/h2-7,9-10,13,16,21H,8,11H2,1H3,(H,31,34)(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	600	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))	BDBM246208 (US10183932, Example 115 | US9434690, 113 | US94346...) Show SMILES COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClF2N3O5/c1-37-22-13-32(23(33)10-20(22)19-9-17(27)5-2-15(19)12-30)21(8-16-11-26(16,28)29)24(34)31-18-6-3-14(4-7-18)25(35)36/h2-7,9-10,13,16,21H,8,11H2,1H3,(H,31,34)(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	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
Plasma kallikrein (Homo sapiens (Human))	BDBM246208 (US10183932, Example 115 | US9434690, 113 | US94346...) Show SMILES COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClF2N3O5/c1-37-22-13-32(23(33)10-20(22)19-9-17(27)5-2-15(19)12-30)21(8-16-11-26(16,28)29)24(34)31-18-6-3-14(4-7-18)25(35)36/h2-7,9-10,13,16,21H,8,11H2,1H3,(H,31,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	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))	BDBM246208 (US10183932, Example 115 | US9434690, 113 | US94346...) Show SMILES COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClF2N3O5/c1-37-22-13-32(23(33)10-20(22)19-9-17(27)5-2-15(19)12-30)21(8-16-11-26(16,28)29)24(34)31-18-6-3-14(4-7-18)25(35)36/h2-7,9-10,13,16,21H,8,11H2,1H3,(H,31,34)(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	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