Compile Data Set for Download or QSAR

Found 417 hits with Last Name = 'straβburger' and Initial = 'j'   

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))	BDBM246227 (US10183932, Example 135 | US9434690, 132 | US94346...) Show SMILES COc1cn(C(CC2CCC(O)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N |(-6.67,,;-5.33,.77,;-4,,;-2.67,.77,;-1.33,,;,.77,;,2.31,;1.33,3.08,;2.67,2.31,;4,3.08,;4,4.62,;5.33,5.39,;2.67,5.39,;1.33,4.62,;1.33,,;1.33,-1.54,;2.67,.77,;4,,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;6.67,,;5.33,.77,;8,-2.31,;9.34,-1.54,;8,-3.85,;-1.33,-1.54,;,-2.31,;-2.67,-2.31,;-4,-1.54,;-5.33,-2.31,;-6.67,-1.54,;-8,-2.31,;-9.34,-1.54,;-8,-3.85,;-6.67,-4.62,;-5.33,-3.85,;-4,-4.62,;-2.67,-5.39,)| Show InChI InChI=1S/C29H28ClN3O6/c1-39-26-16-33(27(35)14-24(26)23-13-20(30)7-4-19(23)15-31)25(12-17-2-10-22(34)11-3-17)28(36)32-21-8-5-18(6-9-21)29(37)38/h4-9,13-14,16-17,22,25,34H,2-3,10-12H2,1H3,(H,32,36)(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	0.300	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))	BDBM246196 (US10183932, Example 105 | US9434690, 101 | US94346...) Show SMILES COc1cn(C(CC2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C28H26ClN3O6/c1-37-25-16-32(26(33)14-23(25)22-12-19(29)8-5-18(22)15-30)24(13-21-4-2-3-11-38-21)27(34)31-20-9-6-17(7-10-20)28(35)36/h5-10,12,14,16,21,24H,2-4,11,13H2,1H3,(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	0.5	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))	BDBM246220 (US10183932, Example 144 | US9434690, 125 | US94346...) Show SMILES CCC(CC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N)OC Show InChI InChI=1S/C27H26ClN3O6/c1-4-20(36-2)12-23(26(33)30-19-9-6-16(7-10-19)27(34)35)31-15-24(37-3)22(13-25(31)32)21-11-18(28)8-5-17(21)14-29/h5-11,13,15,20,23H,4,12H2,1-3H3,(H,30,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	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
Coagulation factor XI (Homo sapiens (Human))	BDBM246174 (US10183932, Example 81 | US9434690, 79 | US9434690...) Show SMILES CO[C@@H](C)CC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N |r| Show InChI InChI=1S/C26H24ClN3O6/c1-15(35-2)10-22(25(32)29-19-8-5-16(6-9-19)26(33)34)30-14-23(36-3)21(12-24(30)31)20-11-18(27)7-4-17(20)13-28/h4-9,11-12,14-15,22H,10H2,1-3H3,(H,29,32)(H,33,34)/t15-,22?/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	0.700	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))	BDBM246249 (US10183932, Example 157 | US9434690, 155 | US94346...) Show SMILES CO[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)n2cc(OC)c(cc2=O)-c2cc(Cl)ccc2C#N)CC1 |r,wU:2.1,wD:5.5,(6.67,4.62,;5.33,5.39,;4,4.62,;4,3.08,;2.67,2.31,;1.33,3.08,;,2.31,;,.77,;1.33,,;1.33,-1.54,;2.67,.77,;4,,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;6.67,,;5.33,.77,;8,-2.31,;9.34,-1.54,;8,-3.85,;-1.33,,;-2.67,.77,;-4,,;-5.33,.77,;-6.67,,;-4,-1.54,;-2.67,-2.31,;-1.33,-1.54,;,-2.31,;-5.33,-2.31,;-6.67,-1.54,;-8,-2.31,;-9.34,-1.54,;-8,-3.85,;-6.67,-4.62,;-5.33,-3.85,;-4,-4.62,;-2.67,-5.39,;1.33,4.62,;2.67,5.39,)| Show InChI InChI=1S/C30H30ClN3O6/c1-39-23-11-3-18(4-12-23)13-26(29(36)33-22-9-6-19(7-10-22)30(37)38)34-17-27(40-2)25(15-28(34)35)24-14-21(31)8-5-20(24)16-32/h5-10,14-15,17-18,23,26H,3-4,11-13H2,1-2H3,(H,33,36)(H,37,38)/t18-,23-,26?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	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))	BDBM285517 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(N)=O)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H23ClN6O5/c1-37-8-6-21(26(36)31-17-5-7-33-22(10-17)20(13-30-33)25(29)35)32-14-23(38-2)19(11-24(32)34)18-9-16(27)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H2,29,35)(H,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...				US Patent US10077265 (2018) BindingDB Entry DOI: 10.7270/Q2XS5XFT
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM246231 (US10183932, Example 138 | US9434690, 136 | US94346...) Show SMILES COc1cn(C(CCOC(F)(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H19ClF3N3O6/c1-37-21-13-32(22(33)11-19(21)18-10-16(26)5-2-15(18)12-30)20(8-9-38-25(27,28)29)23(34)31-17-6-3-14(4-7-17)24(35)36/h2-7,10-11,13,20H,8-9H2,1H3,(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	1	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))	BDBM246196 (US10183932, Example 105 | US9434690, 101 | US94346...) Show SMILES COc1cn(C(CC2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C28H26ClN3O6/c1-37-25-16-32(26(33)14-23(25)22-12-19(29)8-5-18(22)15-30)24(13-21-4-2-3-11-38-21)27(34)31-20-9-6-17(7-10-20)28(35)36/h5-10,12,14,16,21,24H,2-4,11,13H2,1H3,(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	1.30	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))	BDBM246293 (US10183932, Example 199 | US9434690, 199 | US98221...) Show SMILES COc1cn(C(C[C@@H]2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1OC(F)F |r| Show InChI InChI=1S/C28H27ClF2N2O7/c1-38-24-15-33(25(34)14-21(24)20-12-17(29)7-10-23(20)40-28(30)31)22(13-19-4-2-3-11-39-19)26(35)32-18-8-5-16(6-9-18)27(36)37/h5-10,12,14-15,19,22,28H,2-4,11,13H2,1H3,(H,32,35)(H,36,37)/t19-,22?/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	1.30	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))	BDBM246171 (US10183932, Example 78 | US9434690, 76 | US9434690...) Show SMILES COCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H22ClN3O6/c1-34-10-9-21(24(31)28-18-7-4-15(5-8-18)25(32)33)29-14-22(35-2)20(12-23(29)30)19-11-17(26)6-3-16(19)13-27/h3-8,11-12,14,21H,9-10H2,1-2H3,(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	1.30	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))	BDBM246182 (US10183932, Example 89 | US9434690, 87 | US9434690...) Show SMILES COc1cn(C(C[C@@H]2CCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N |r| Show InChI InChI=1S/C27H24ClN3O6/c1-36-24-15-31(25(32)13-22(24)21-11-18(28)7-4-17(21)14-29)23(12-20-3-2-10-37-20)26(33)30-19-8-5-16(6-9-19)27(34)35/h4-9,11,13,15,20,23H,2-3,10,12H2,1H3,(H,30,33)(H,34,35)/t20-,23?/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	1.30	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))	BDBM246196 (US10183932, Example 105 | US9434690, 101 | US94346...) Show SMILES COc1cn(C(CC2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C28H26ClN3O6/c1-37-25-16-32(26(33)14-23(25)22-12-19(29)8-5-18(22)15-30)24(13-21-4-2-3-11-38-21)27(34)31-20-9-6-17(7-10-20)28(35)36/h5-10,12,14,16,21,24H,2-4,11,13H2,1H3,(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	1.40	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))	BDBM246192 (US10183932, Example 100 | US9434690, 100 | US94346...) Show SMILES COc1cn(C(CC2CCCOC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C28H26ClN3O6/c1-37-25-15-32(26(33)13-23(25)22-12-20(29)7-4-19(22)14-30)24(11-17-3-2-10-38-16-17)27(34)31-21-8-5-18(6-9-21)28(35)36/h4-9,12-13,15,17,24H,2-3,10-11,16H2,1H3,(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	1.5	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))	BDBM246231 (US10183932, Example 138 | US9434690, 136 | US94346...) Show SMILES COc1cn(C(CCOC(F)(F)F)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H19ClF3N3O6/c1-37-21-13-32(22(33)11-19(21)18-10-16(26)5-2-15(18)12-30)20(8-9-38-25(27,28)29)23(34)31-17-6-3-14(4-7-17)24(35)36/h2-7,10-11,13,20H,8-9H2,1H3,(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	1.60	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))	BDBM246154 (US10183932, Example 60 | US9434690, 59 | US9434690...) Show SMILES COc1cn(C(CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H22ClN3O5/c1-35-23-14-30(24(31)12-21(23)20-11-18(27)7-4-17(20)13-28)22(10-15-2-3-15)25(32)29-19-8-5-16(6-9-19)26(33)34/h4-9,11-12,14-15,22H,2-3,10H2,1H3,(H,29,32)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	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))	BDBM246171 (US10183932, Example 78 | US9434690, 76 | US9434690...) Show SMILES COCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H22ClN3O6/c1-34-10-9-21(24(31)28-18-7-4-15(5-8-18)25(32)33)29-14-22(35-2)20(12-23(29)30)19-11-17(26)6-3-16(19)13-27/h3-8,11-12,14,21H,9-10H2,1-2H3,(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	1.60	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))	BDBM246161 (US10183932, Example 140 | US9434690, 140 | US94346...) Show SMILES CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C24H20ClN3O5/c1-3-20(23(30)27-17-8-5-14(6-9-17)24(31)32)28-13-21(33-2)19(11-22(28)29)18-10-16(25)7-4-15(18)12-26/h4-11,13,20H,3H2,1-2H3,(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	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))	BDBM246258 (US10183932, Example 164 | US9434690, 164 | US98221...) Show SMILES COCCC(C(=O)Nc1ccc2c(c1)[nH][nH]c2=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H20ClN5O5/c1-35-8-7-21(25(34)28-16-5-6-17-20(10-16)29-30-24(17)33)31-13-22(36-2)19(11-23(31)32)18-9-15(26)4-3-14(18)12-27/h3-6,9-11,13,21H,7-8H2,1-2H3,(H,28,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	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))	BDBM246212 (US10183932, Example 117 | US9434690, 117 | US98221...) Show SMILES COc1cn(C(CC2CCC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C27H24ClN3O5/c1-36-24-15-31(25(32)13-22(24)21-12-19(28)8-5-18(21)14-29)23(11-16-3-2-4-16)26(33)30-20-9-6-17(7-10-20)27(34)35/h5-10,12-13,15-16,23H,2-4,11H2,1H3,(H,30,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	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))	BDBM246249 (US10183932, Example 157 | US9434690, 155 | US94346...) Show SMILES CO[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)n2cc(OC)c(cc2=O)-c2cc(Cl)ccc2C#N)CC1 |r,wU:2.1,wD:5.5,(6.67,4.62,;5.33,5.39,;4,4.62,;4,3.08,;2.67,2.31,;1.33,3.08,;,2.31,;,.77,;1.33,,;1.33,-1.54,;2.67,.77,;4,,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;6.67,,;5.33,.77,;8,-2.31,;9.34,-1.54,;8,-3.85,;-1.33,,;-2.67,.77,;-4,,;-5.33,.77,;-6.67,,;-4,-1.54,;-2.67,-2.31,;-1.33,-1.54,;,-2.31,;-5.33,-2.31,;-6.67,-1.54,;-8,-2.31,;-9.34,-1.54,;-8,-3.85,;-6.67,-4.62,;-5.33,-3.85,;-4,-4.62,;-2.67,-5.39,;1.33,4.62,;2.67,5.39,)| Show InChI InChI=1S/C30H30ClN3O6/c1-39-23-11-3-18(4-12-23)13-26(29(36)33-22-9-6-19(7-10-22)30(37)38)34-17-27(40-2)25(15-28(34)35)24-14-21(31)8-5-20(24)16-32/h5-10,14-15,17-18,23,26H,3-4,11-13H2,1-2H3,(H,33,36)(H,37,38)/t18-,23-,26?	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	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))	BDBM246227 (US10183932, Example 135 | US9434690, 132 | US94346...) Show SMILES COc1cn(C(CC2CCC(O)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N |(-6.67,,;-5.33,.77,;-4,,;-2.67,.77,;-1.33,,;,.77,;,2.31,;1.33,3.08,;2.67,2.31,;4,3.08,;4,4.62,;5.33,5.39,;2.67,5.39,;1.33,4.62,;1.33,,;1.33,-1.54,;2.67,.77,;4,,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;6.67,,;5.33,.77,;8,-2.31,;9.34,-1.54,;8,-3.85,;-1.33,-1.54,;,-2.31,;-2.67,-2.31,;-4,-1.54,;-5.33,-2.31,;-6.67,-1.54,;-8,-2.31,;-9.34,-1.54,;-8,-3.85,;-6.67,-4.62,;-5.33,-3.85,;-4,-4.62,;-2.67,-5.39,)| Show InChI InChI=1S/C29H28ClN3O6/c1-39-26-16-33(27(35)14-24(26)23-13-20(30)7-4-19(23)15-31)25(12-17-2-10-22(34)11-3-17)28(36)32-21-8-5-18(6-9-21)29(37)38/h4-9,13-14,16-17,22,25,34H,2-3,10-12H2,1H3,(H,32,36)(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	2	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))	BDBM246150 (US10183932, Example 57 | US9434690, 55 | US9434690...) Show SMILES COc1cn(C(C)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C23H18ClN3O5/c1-13(22(29)26-17-7-4-14(5-8-17)23(30)31)27-12-20(32-2)19(10-21(27)28)18-9-16(24)6-3-15(18)11-25/h3-10,12-13H,1-2H3,(H,26,29)(H,30,31)	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	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))	BDBM246258 (US10183932, Example 164 | US9434690, 164 | US98221...) Show SMILES COCCC(C(=O)Nc1ccc2c(c1)[nH][nH]c2=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H20ClN5O5/c1-35-8-7-21(25(34)28-16-5-6-17-20(10-16)29-30-24(17)33)31-13-22(36-2)19(11-23(31)32)18-9-15(26)4-3-14(18)12-27/h3-6,9-11,13,21H,7-8H2,1-2H3,(H,28,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	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	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))	BDBM246201 (US10183932, Example 106 | US9434690, 106 | US98221...) Show SMILES COc1cn(C(CC2COCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C27H24ClN3O7/c1-36-24-14-31(25(32)12-22(24)21-10-18(28)5-2-17(21)13-29)23(11-20-15-37-8-9-38-20)26(33)30-19-6-3-16(4-7-19)27(34)35/h2-7,10,12,14,20,23H,8-9,11,15H2,1H3,(H,30,33)(H,34,35)	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))	BDBM246211 (US10183932, Example 116 | US9434690, 116 | US98221...) Show SMILES COc1cn(C(CC2(C)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C27H24ClN3O5/c1-27(9-10-27)13-22(25(33)30-19-7-4-16(5-8-19)26(34)35)31-15-23(36-2)21(12-24(31)32)20-11-18(28)6-3-17(20)14-29/h3-8,11-12,15,22H,9-10,13H2,1-2H3,(H,30,33)(H,34,35)	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))	BDBM246246 (US10183932, Example 154 | US9434690, 152 | US94346...) Show SMILES CO[C@@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)n2cc(OC)c(cc2=O)-c2cc(Cl)ccc2C#N)CC1 |r,wU:5.5,2.1,(6.67,4.62,;5.33,5.39,;4,4.62,;2.67,5.39,;1.33,4.62,;1.33,3.08,;,2.31,;,.77,;1.33,,;1.33,-1.54,;2.67,.77,;4,,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;6.67,,;5.33,.77,;8,-2.31,;9.34,-1.54,;8,-3.85,;-1.33,,;-2.67,.77,;-4,,;-5.33,.77,;-6.67,,;-4,-1.54,;-2.67,-2.31,;-1.33,-1.54,;,-2.31,;-5.33,-2.31,;-6.67,-1.54,;-8,-2.31,;-9.34,-1.54,;-8,-3.85,;-6.67,-4.62,;-5.33,-3.85,;-4,-4.62,;-2.67,-5.39,;2.67,2.31,;4,3.08,)| Show InChI InChI=1S/C30H30ClN3O6/c1-39-23-11-3-18(4-12-23)13-26(29(36)33-22-9-6-19(7-10-22)30(37)38)34-17-27(40-2)25(15-28(34)35)24-14-21(31)8-5-20(24)16-32/h5-10,14-15,17-18,23,26H,3-4,11-13H2,1-2H3,(H,33,36)(H,37,38)/t18-,23+,26?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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))	BDBM246179 (US10183932, Example 86 | US9434690, 84 | US9434690...) Show SMILES COc1cn(C(C[C@H]2CCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N |r| Show InChI InChI=1S/C27H24ClN3O6/c1-36-24-15-31(25(32)13-22(24)21-11-18(28)7-4-17(21)14-29)23(12-20-3-2-10-37-20)26(33)30-19-8-5-16(6-9-19)27(34)35/h4-9,11,13,15,20,23H,2-3,10,12H2,1H3,(H,30,33)(H,34,35)/t20-,23?/m1/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	2.40	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))	BDBM246189 (US10183932, Example 96 | US9434690, 94 | US9434690...) Show SMILES COc1cn(C(CC2CCOCC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C28H26ClN3O6/c1-37-25-16-32(26(33)14-23(25)22-13-20(29)5-2-19(22)15-30)24(12-17-8-10-38-11-9-17)27(34)31-21-6-3-18(4-7-21)28(35)36/h2-7,13-14,16-17,24H,8-12H2,1H3,(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	2.40	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))	BDBM285515 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(O)=O)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H22ClN5O6/c1-37-8-6-21(25(34)30-17-5-7-32-22(10-17)20(13-29-32)26(35)36)31-14-23(38-2)19(11-24(31)33)18-9-16(27)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H,30,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...				US Patent US10077265 (2018) BindingDB Entry DOI: 10.7270/Q2XS5XFT
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM246234 (US10183932, Example 139 | US9434690, 139 | US98221...) Show SMILES CCC1(CC(C(=O)Nc2ccc(cc2)-c2noc(=O)[nH]2)n2cc(OC)c(cc2=O)-c2cc(Cl)ccc2C#N)COC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	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))	BDBM246287 (US10183932, Example 193 | US9434690, 193 | US98221...) Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1nnc([nH]1)C(F)(F)C(F)(F)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	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))	BDBM246267 (US10183932, Example 173 | US9434690, 173 | US98221...) Show SMILES COCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1OC(F)F Show InChI InChI=1S/C25H23ClF2N2O7/c1-35-10-9-19(23(32)29-16-6-3-14(4-7-16)24(33)34)30-13-21(36-2)18(12-22(30)31)17-11-15(26)5-8-20(17)37-25(27)28/h3-8,11-13,19,25H,9-10H2,1-2H3,(H,29,32)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	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))	BDBM246227 (US10183932, Example 135 | US9434690, 132 | US94346...) Show SMILES COc1cn(C(CC2CCC(O)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N |(-6.67,,;-5.33,.77,;-4,,;-2.67,.77,;-1.33,,;,.77,;,2.31,;1.33,3.08,;2.67,2.31,;4,3.08,;4,4.62,;5.33,5.39,;2.67,5.39,;1.33,4.62,;1.33,,;1.33,-1.54,;2.67,.77,;4,,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;6.67,,;5.33,.77,;8,-2.31,;9.34,-1.54,;8,-3.85,;-1.33,-1.54,;,-2.31,;-2.67,-2.31,;-4,-1.54,;-5.33,-2.31,;-6.67,-1.54,;-8,-2.31,;-9.34,-1.54,;-8,-3.85,;-6.67,-4.62,;-5.33,-3.85,;-4,-4.62,;-2.67,-5.39,)| Show InChI InChI=1S/C29H28ClN3O6/c1-39-26-16-33(27(35)14-24(26)23-13-20(30)7-4-19(23)15-31)25(12-17-2-10-22(34)11-3-17)28(36)32-21-8-5-18(6-9-21)29(37)38/h4-9,13-14,16-17,22,25,34H,2-3,10-12H2,1H3,(H,32,36)(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	2.70	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))	BDBM285515 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(O)=O)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H22ClN5O6/c1-37-8-6-21(25(34)30-17-5-7-32-22(10-17)20(13-29-32)26(35)36)31-14-23(38-2)19(11-24(31)33)18-9-16(27)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H,30,34)(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	2.70	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a...				US Patent US10077265 (2018) BindingDB Entry DOI: 10.7270/Q2XS5XFT
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM285517 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(N)=O)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H23ClN6O5/c1-37-8-6-21(26(36)31-17-5-7-33-22(10-17)20(13-30-33)25(29)35)32-14-23(38-2)19(11-24(32)34)18-9-16(27)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H2,29,35)(H,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	7.4	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...				US Patent US10077265 (2018) BindingDB Entry DOI: 10.7270/Q2XS5XFT
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM246182 (US10183932, Example 89 | US9434690, 87 | US9434690...) Show SMILES COc1cn(C(C[C@@H]2CCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N |r| Show InChI InChI=1S/C27H24ClN3O6/c1-36-24-15-31(25(32)13-22(24)21-11-18(28)7-4-17(21)14-29)23(12-20-3-2-10-37-20)26(33)30-19-8-5-16(6-9-19)27(34)35/h4-9,11,13,15,20,23H,2-3,10,12H2,1H3,(H,30,33)(H,34,35)/t20-,23?/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	2.80	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))	BDBM246280 (US10183932, Example 187 | US9434690, 186 | US94346...) Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1nsc(=O)[nH]1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	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	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	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
Plasma kallikrein (Homo sapiens (Human))	BDBM285522 (5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COCCCNC(=O)c1cnn2ccc(NC(=O)C(CCOC)n3cc(OC)c(cc3=O)-c3cc(Cl)ccc3C#N)cc12 Show InChI InChI=1S/C30H31ClN6O6/c1-41-11-4-9-33-29(39)24-17-34-37-10-7-21(14-26(24)37)35-30(40)25(8-12-42-2)36-18-27(43-3)23(15-28(36)38)22-13-20(31)6-5-19(22)16-32/h5-7,10,13-15,17-18,25H,4,8-9,11-12H2,1-3H3,(H,33,39)(H,35,40)	PDB UniProtKB/SwissProt 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 To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...				US Patent US10077265 (2018) BindingDB Entry DOI: 10.7270/Q2XS5XFT
					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
Coagulation factor XI (Homo sapiens (Human))	BDBM246286 (US10183932, Example 192 | US9434690, 192 | US98221...) Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1nnc([nH]1)C(F)(F)C(F)(F)C(=O)OC)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI	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
Plasma kallikrein (Homo sapiens (Human))	BDBM246262 (US10183932, Example 168 | US9434690, 168 | US98221...) Show SMILES COCCC(C(=O)Nc1ccc2cc([nH]c2c1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	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))	BDBM246174 (US10183932, Example 81 | US9434690, 79 | US9434690...) Show SMILES CO[C@@H](C)CC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N |r| Show InChI InChI=1S/C26H24ClN3O6/c1-15(35-2)10-22(25(32)29-19-8-5-16(6-9-19)26(33)34)30-14-23(36-3)21(12-24(30)31)20-11-18(27)7-4-17(20)13-28/h4-9,11-12,14-15,22H,10H2,1-3H3,(H,29,32)(H,33,34)/t15-,22?/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	3.20	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))	BDBM246185 (US10183932, Example 93 | US9434690, 90 | US9434690...) Show SMILES COc1cn(C(CC2CCOC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C27H24ClN3O6/c1-36-24-14-31(25(32)12-22(24)21-11-19(28)5-2-18(21)13-29)23(10-16-8-9-37-15-16)26(33)30-20-6-3-17(4-7-20)27(34)35/h2-7,11-12,14,16,23H,8-10,15H2,1H3,(H,30,33)(H,34,35)	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	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))	BDBM246271 (US10183932, Example 177 | US9434690, 177 | US98221...) Show SMILES COc1cn(C(C[C@H]2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1OC(F)F |r| Show InChI InChI=1S/C28H27ClF2N2O7/c1-38-24-15-33(25(34)14-21(24)20-12-17(29)7-10-23(20)40-28(30)31)22(13-19-4-2-3-11-39-19)26(35)32-18-8-5-16(6-9-18)27(36)37/h5-10,12,14-15,19,22,28H,2-4,11,13H2,1H3,(H,32,35)(H,36,37)/t19-,22?/m1/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	3.40	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))	BDBM246164 (US10183932, Example 69 | US9434690, 69 | US9822102...) Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1cc(=O)[nH][nH]1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C26H20ClN5O4/c1-3-22(26(35)29-18-8-5-15(6-9-18)21-12-24(33)31-30-21)32-14-23(36-2)20(11-25(32)34)19-10-17(27)7-4-16(19)13-28/h4-12,14,22H,3H2,1-2H3,(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	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))	BDBM246257 (US10183932, Example 163 | US9434690, 163 | US98221...) Show SMILES COCCC(C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C25H20ClN5O5/c1-35-8-7-21(24(33)28-16-5-6-19-20(10-16)30-25(34)29-19)31-13-22(36-2)18(11-23(31)32)17-9-15(26)4-3-14(17)12-27/h3-6,9-11,13,21H,7-8H2,1-2H3,(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	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))	BDBM246220 (US10183932, Example 144 | US9434690, 125 | US94346...) Show SMILES CCC(CC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N)OC Show InChI InChI=1S/C27H26ClN3O6/c1-4-20(36-2)12-23(26(33)30-19-9-6-16(7-10-19)27(34)35)31-15-24(37-3)22(13-25(31)32)21-11-18(28)8-5-17(21)14-29/h5-11,13,15,20,23H,4,12H2,1-3H3,(H,30,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	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

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