Compile Data Set for Download or QSAR

Found 2315 hits with Last Name = 'nunez' and Initial = 'e'   

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))	BDBM413625 (2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-metho...) Show SMILES COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C26H25ClN8O4/c1-33-13-16-10-18(5-6-21(16)30-33)29-26(37)23(8-9-38-2)34-14-24(39-3)20(12-25(34)36)19-11-17(27)4-7-22(19)35-15-28-31-32-35/h4-7,10-15,23H,8-9H2,1-3H3,(H,29,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413725 (N-(Quinoxalin-6-yl)-(2S)-2-{4-[5-chloro-2-(1H-tetr...) Show SMILES CCC[C@@H](C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C26H23ClN8O3/c1-3-4-23(26(37)31-17-6-7-20-21(12-17)29-10-9-28-20)34-14-24(38-2)19(13-25(34)36)18-11-16(27)5-8-22(18)35-15-30-32-33-35/h5-15,23H,3-4H2,1-2H3,(H,31,37)/t23-/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	0.260	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413625 (2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-metho...) Show SMILES COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C26H25ClN8O4/c1-33-13-16-10-18(5-6-21(16)30-33)29-26(37)23(8-9-38-2)34-14-24(39-3)20(12-25(34)36)19-11-17(27)4-7-22(19)35-15-28-31-32-35/h4-7,10-15,23H,8-9H2,1-3H3,(H,29,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413725 (N-(Quinoxalin-6-yl)-(2S)-2-{4-[5-chloro-2-(1H-tetr...) Show SMILES CCC[C@@H](C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C26H23ClN8O3/c1-3-4-23(26(37)31-17-6-7-20-21(12-17)29-10-9-28-20)34-14-24(38-2)19(13-25(34)36)18-11-16(27)5-8-22(18)35-15-30-32-33-35/h5-15,23H,3-4H2,1-2H3,(H,31,37)/t23-/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	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					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	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))	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	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))	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	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))	BDBM413721 (4-{[(2S)-2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl...) Show SMILES CCC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C25H23ClFN7O4/c1-3-4-21(25(37)30-15-6-7-16(24(28)36)19(27)10-15)33-12-22(38-2)18(11-23(33)35)17-9-14(26)5-8-20(17)34-13-29-31-32-34/h5-13,21H,3-4H2,1-2H3,(H2,28,36)(H,30,37)/t21-/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	0.310	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413721 (4-{[(2S)-2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl...) Show SMILES CCC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C25H23ClFN7O4/c1-3-4-21(25(37)30-15-6-7-16(24(28)36)19(27)10-15)33-12-22(38-2)18(11-23(33)35)17-9-14(26)5-8-20(17)34-13-29-31-32-34/h5-13,21H,3-4H2,1-2H3,(H2,28,36)(H,30,37)/t21-/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	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413626 (4-[(2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...) Show SMILES COCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C25H23ClFN7O5/c1-38-8-7-21(25(37)30-15-4-5-16(24(28)36)19(27)10-15)33-12-22(39-2)18(11-23(33)35)17-9-14(26)3-6-20(17)34-13-29-31-32-34/h3-6,9-13,21H,7-8H2,1-2H3,(H2,28,36)(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413727 ((2S)-2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-...) Show SMILES CCC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C26H25ClN8O3/c1-4-5-23(26(37)29-18-7-8-21-16(10-18)13-33(2)30-21)34-14-24(38-3)20(12-25(34)36)19-11-17(27)6-9-22(19)35-15-28-31-32-35/h6-15,23H,4-5H2,1-3H3,(H,29,37)/t23-/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	0.340	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413626 (4-[(2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...) Show SMILES COCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C25H23ClFN7O5/c1-38-8-7-21(25(37)30-15-4-5-16(24(28)36)19(27)10-15)33-12-22(39-2)18(11-23(33)35)17-9-14(26)3-6-20(17)34-13-29-31-32-34/h3-6,9-13,21H,7-8H2,1-2H3,(H2,28,36)(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413727 ((2S)-2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-...) Show SMILES CCC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C26H25ClN8O3/c1-4-5-23(26(37)29-18-7-8-21-16(10-18)13-33(2)30-21)34-14-24(38-3)20(12-25(34)36)19-11-17(27)6-9-22(19)35-15-28-31-32-35/h6-15,23H,4-5H2,1-3H3,(H,29,37)/t23-/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	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413654 (4-[(2-{4-[5-Chloro-2-(1,2-oxazol-3-yl)phenyl]-5-me...) Show SMILES COc1cn(C(C[C@@H]2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1-c1ccon1 |r| Show InChI InChI=1S/C30H28ClN3O7/c1-39-27-17-34(28(35)16-24(27)23-14-19(31)7-10-22(23)25-11-13-41-33-25)26(15-21-4-2-3-12-40-21)29(36)32-20-8-5-18(6-9-20)30(37)38/h5-11,13-14,16-17,21,26H,2-4,12,15H2,1H3,(H,32,36)(H,37,38)/t21-,26?/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	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413719 (4-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...) Show SMILES CCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C25H23ClN6O5/c1-3-4-21(24(34)28-17-8-5-15(6-9-17)25(35)36)31-13-22(37-2)19(12-23(31)33)18-11-16(26)7-10-20(18)32-14-27-29-30-32/h5-14,21H,3-4H2,1-2H3,(H,28,34)(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	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413745 (4-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...) Show SMILES CCCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C26H25ClN6O5/c1-3-4-5-22(25(35)29-18-9-6-16(7-10-18)26(36)37)32-14-23(38-2)20(13-24(32)34)19-12-17(27)8-11-21(19)33-15-28-30-31-33/h6-15,22H,3-5H2,1-2H3,(H,29,35)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413654 (4-[(2-{4-[5-Chloro-2-(1,2-oxazol-3-yl)phenyl]-5-me...) Show SMILES COc1cn(C(C[C@@H]2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1-c1ccon1 |r| Show InChI InChI=1S/C30H28ClN3O7/c1-39-27-17-34(28(35)16-24(27)23-14-19(31)7-10-22(23)25-11-13-41-33-25)26(15-21-4-2-3-12-40-21)29(36)32-20-8-5-18(6-9-20)30(37)38/h5-11,13-14,16-17,21,26H,2-4,12,15H2,1H3,(H,32,36)(H,37,38)/t21-,26?/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	0.360	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413719 (4-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...) Show SMILES CCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C25H23ClN6O5/c1-3-4-21(24(34)28-17-8-5-15(6-9-17)25(35)36)31-13-22(37-2)19(12-23(31)33)18-11-16(26)7-10-20(18)32-14-27-29-30-32/h5-14,21H,3-4H2,1-2H3,(H,28,34)(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	0.360	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413745 (4-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...) Show SMILES CCCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C26H25ClN6O5/c1-3-4-5-22(25(35)29-18-9-6-16(7-10-18)26(36)37)32-14-23(38-2)20(13-24(32)34)19-12-17(27)8-11-21(19)33-15-28-30-31-33/h6-15,22H,3-5H2,1-2H3,(H,29,35)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413610 (4-{[(2S)-2-{4-[5-Chloro-2-(1,3-oxazol-5-yl)phenyl]...) Show SMILES COCC[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-c1cnco1 |r| Show InChI InChI=1S/C27H24ClN3O7/c1-36-10-9-22(26(33)30-18-6-3-16(4-7-18)27(34)35)31-14-24(37-2)21(12-25(31)32)20-11-17(28)5-8-19(20)23-13-29-15-38-23/h3-8,11-15,22H,9-10H2,1-2H3,(H,30,33)(H,34,35)/t22-/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413610 (4-{[(2S)-2-{4-[5-Chloro-2-(1,3-oxazol-5-yl)phenyl]...) Show SMILES COCC[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-c1cnco1 |r| Show InChI InChI=1S/C27H24ClN3O7/c1-36-10-9-22(26(33)30-18-6-3-16(4-7-18)27(34)35)31-14-24(37-2)21(12-25(31)32)20-11-17(28)5-8-19(20)23-13-29-15-38-23/h3-8,11-15,22H,9-10H2,1-2H3,(H,30,33)(H,34,35)/t22-/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413722 (5-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...) Show SMILES CCCC(C(=O)Nc1ccc(nc1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C24H23ClN8O4/c1-3-4-20(24(36)29-15-6-7-18(23(26)35)27-11-15)32-12-21(37-2)17(10-22(32)34)16-9-14(25)5-8-19(16)33-13-28-30-31-33/h5-13,20H,3-4H2,1-2H3,(H2,26,35)(H,29,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413722 (5-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...) Show SMILES CCCC(C(=O)Nc1ccc(nc1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C24H23ClN8O4/c1-3-4-20(24(36)29-15-6-7-18(23(26)35)27-11-15)32-12-21(37-2)17(10-22(32)34)16-9-14(25)5-8-19(16)33-13-28-30-31-33/h5-13,20H,3-4H2,1-2H3,(H2,26,35)(H,29,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413726 (2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-metho...) Show SMILES CCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C26H25ClN8O3/c1-4-5-23(26(37)29-18-7-8-21-16(10-18)13-33(2)30-21)34-14-24(38-3)20(12-25(34)36)19-11-17(27)6-9-22(19)35-15-28-31-32-35/h6-15,23H,4-5H2,1-3H3,(H,29,37)	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	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					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))	BDBM413726 (2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-metho...) Show SMILES CCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C26H25ClN8O3/c1-4-5-23(26(37)29-18-7-8-21-16(10-18)13-33(2)30-21)34-14-24(38-3)20(12-25(34)36)19-11-17(27)6-9-22(19)35-15-28-31-32-35/h6-15,23H,4-5H2,1-3H3,(H,29,37)	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	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM341292 (6-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...) Show SMILES COc1cn(C(C[C@@H]2CCCCO2)C(=O)Nc2ccc3nc(cn3c2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N |r| Show InChI InChI=1S/C29H26ClN5O6/c1-40-25-16-35(27(36)12-22(25)21-10-18(30)6-5-17(21)13-31)24(11-20-4-2-3-9-41-20)28(37)32-19-7-8-26-33-23(29(38)39)15-34(26)14-19/h5-8,10,12,14-16,20,24H,2-4,9,11H2,1H3,(H,32,37)(H,38,39)/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	0.5	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 US9765070 (2017) BindingDB Entry DOI: 10.7270/Q25D8TZT
					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	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))	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	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))	BDBM413652 (4-{[(2S)-4-tert-Butoxy-2-{4-[5-chloro-2-(1,2-oxazo...) Show SMILES COc1cn([C@@H](CCOC(C)(C)C)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1-c1ccon1 |r| Show InChI InChI=1S/C30H30ClN3O7/c1-30(2,3)40-13-12-25(28(36)32-20-8-5-18(6-9-20)29(37)38)34-17-26(39-4)23(16-27(34)35)22-15-19(31)7-10-21(22)24-11-14-41-33-24/h5-11,14-17,25H,12-13H2,1-4H3,(H,32,36)(H,37,38)/t25-/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	0.530	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413652 (4-{[(2S)-4-tert-Butoxy-2-{4-[5-chloro-2-(1,2-oxazo...) Show SMILES COc1cn([C@@H](CCOC(C)(C)C)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1-c1ccon1 |r| Show InChI InChI=1S/C30H30ClN3O7/c1-30(2,3)40-13-12-25(28(36)32-20-8-5-18(6-9-20)29(37)38)34-17-26(39-4)23(16-27(34)35)22-15-19(31)7-10-21(22)24-11-14-41-33-24/h5-11,14-17,25H,12-13H2,1-4H3,(H,32,36)(H,37,38)/t25-/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	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413720 (4-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...) Show SMILES CCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C25H23ClFN7O4/c1-3-4-21(25(37)30-15-6-7-16(24(28)36)19(27)10-15)33-12-22(38-2)18(11-23(33)35)17-9-14(26)5-8-20(17)34-13-29-31-32-34/h5-13,21H,3-4H2,1-2H3,(H2,28,36)(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413720 (4-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...) Show SMILES CCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C25H23ClFN7O4/c1-3-4-21(25(37)30-15-6-7-16(24(28)36)19(27)10-15)33-12-22(38-2)18(11-23(33)35)17-9-14(26)5-8-20(17)34-13-29-31-32-34/h5-13,21H,3-4H2,1-2H3,(H2,28,36)(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413777 (N-(Quinoxalin-6-yl)-(2S)-2-{4-[5-chloro-2-(4-chlor...) Show SMILES CC[C@@H](C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI InChI=1S/C26H21Cl2N7O3/c1-3-21(26(37)31-16-5-6-19-20(11-16)30-9-8-29-19)34-13-23(38-2)18(12-25(34)36)17-10-15(27)4-7-22(17)35-14-24(28)32-33-35/h4-14,21H,3H2,1-2H3,(H,31,37)/t21-/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	0.550	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413777 (N-(Quinoxalin-6-yl)-(2S)-2-{4-[5-chloro-2-(4-chlor...) Show SMILES CC[C@@H](C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI InChI=1S/C26H21Cl2N7O3/c1-3-21(26(37)31-16-5-6-19-20(11-16)30-9-8-29-19)34-13-23(38-2)18(12-25(34)36)17-10-15(27)4-7-22(17)35-14-24(28)32-33-35/h4-14,21H,3H2,1-2H3,(H,31,37)/t21-/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	0.550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413724 (N-(Quinoxalin-6-yl)-2-{4-[5-chloro-2-(1H-tetrazol-...) Show SMILES CCCC(C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C26H23ClN8O3/c1-3-4-23(26(37)31-17-6-7-20-21(12-17)29-10-9-28-20)34-14-24(38-2)19(13-25(34)36)18-11-16(27)5-8-22(18)35-15-30-32-33-35/h5-15,23H,3-4H2,1-2H3,(H,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413724 (N-(Quinoxalin-6-yl)-2-{4-[5-chloro-2-(1H-tetrazol-...) Show SMILES CCCC(C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C26H23ClN8O3/c1-3-4-23(26(37)31-17-6-7-20-21(12-17)29-10-9-28-20)34-14-24(38-2)19(13-25(34)36)18-11-16(27)5-8-22(18)35-15-30-32-33-35/h5-15,23H,3-4H2,1-2H3,(H,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM413725 (N-(Quinoxalin-6-yl)-(2S)-2-{4-[5-chloro-2-(1H-tetr...) Show SMILES CCC[C@@H](C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C26H23ClN8O3/c1-3-4-23(26(37)31-17-6-7-20-21(12-17)29-10-9-28-20)34-14-24(38-2)19(13-25(34)36)18-11-16(27)5-8-22(18)35-15-30-32-33-35/h5-15,23H,3-4H2,1-2H3,(H,31,37)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM413725 (N-(Quinoxalin-6-yl)-(2S)-2-{4-[5-chloro-2-(1H-tetr...) Show SMILES CCC[C@@H](C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C26H23ClN8O3/c1-3-4-23(26(37)31-17-6-7-20-21(12-17)29-10-9-28-20)34-14-24(38-2)19(13-25(34)36)18-11-16(27)5-8-22(18)35-15-30-32-33-35/h5-15,23H,3-4H2,1-2H3,(H,31,37)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma Kallikrein: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413746 (2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-metho...) Show SMILES CCCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C27H27ClN8O3/c1-4-5-6-24(27(38)30-19-8-9-22-17(11-19)14-34(2)31-22)35-15-25(39-3)21(13-26(35)37)20-12-18(28)7-10-23(20)36-16-29-32-33-36/h7-16,24H,4-6H2,1-3H3,(H,30,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413746 (2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-metho...) Show SMILES CCCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C27H27ClN8O3/c1-4-5-6-24(27(38)30-19-8-9-22-17(11-19)14-34(2)31-22)35-15-25(39-3)21(13-26(35)37)20-12-18(28)7-10-23(20)36-16-29-32-33-36/h7-16,24H,4-6H2,1-3H3,(H,30,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					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	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))	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	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))	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))	BDBM413773 (4-({2-[4-{5-Chloro-2-[4-(difluoromethyl)-1H-1,2,3-...) Show SMILES CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)F Show InChI InChI=1S/C26H22ClF2N5O5/c1-3-20(25(36)30-16-7-4-14(5-8-16)26(37)38)33-13-22(39-2)18(11-23(33)35)17-10-15(27)6-9-21(17)34-12-19(24(28)29)31-32-34/h4-13,20,24H,3H2,1-2H3,(H,30,36)(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	0.620	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413773 (4-({2-[4-{5-Chloro-2-[4-(difluoromethyl)-1H-1,2,3-...) Show SMILES CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)F Show InChI InChI=1S/C26H22ClF2N5O5/c1-3-20(25(36)30-16-7-4-14(5-8-16)26(37)38)33-13-22(39-2)18(11-23(33)35)17-10-15(27)6-9-21(17)34-12-19(24(28)29)31-32-34/h4-13,20,24H,3H2,1-2H3,(H,30,36)(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	0.620	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413847 (4-{[(2S)-2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triaz...) Show SMILES COc1cn([C@@H](C)C(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI InChI=1S/C24H19Cl2FN6O4/c1-12(24(36)29-14-4-5-15(23(28)35)18(27)8-14)32-10-20(37-2)17(9-22(32)34)16-7-13(25)3-6-19(16)33-11-21(26)30-31-33/h3-12H,1-2H3,(H2,28,35)(H,29,36)/t12-/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	0.640	n/a	n/a	n/a	n/a	n/a	n/a
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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413847 (4-{[(2S)-2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triaz...) Show SMILES COc1cn([C@@H](C)C(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI InChI=1S/C24H19Cl2FN6O4/c1-12(24(36)29-14-4-5-15(23(28)35)18(27)8-14)32-10-20(37-2)17(9-22(32)34)16-7-13(25)3-6-19(16)33-11-21(26)30-31-33/h3-12H,1-2H3,(H2,28,35)(H,29,36)/t12-/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	0.640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413793 (2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)p...) Show SMILES COc1cn(C(C)C(=O)Nc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1 Show InChI InChI=1S/C25H21Cl2N7O3/c1-14(25(36)28-17-5-6-20-15(8-17)11-32(2)30-20)33-12-22(37-3)19(10-24(33)35)18-9-16(26)4-7-21(18)34-13-23(27)29-31-34/h4-14H,1-3H3,(H,28,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413797 (4-[({4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-met...) Show SMILES COc1cn(CC(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C22H17ClN6O5/c1-34-19-10-28(11-20(30)25-15-5-2-13(3-6-15)22(32)33)21(31)9-17(19)16-8-14(23)4-7-18(16)29-12-24-26-27-29/h2-10,12H,11H2,1H3,(H,25,30)(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	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 2315 total )  |  Next  |  Last  >>

Jump to: