Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with all data for entry = 50011955   

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 X (Homo sapiens (Human))	BDBM50112518 (3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cccc(N)c1 |w:23.26| Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-10-9-22(31-21-11-14-29(15-12-21)18(2)26)17-24(23)30(25)13-5-7-19-6-4-8-20(27)16-19/h4-10,16-17,21,26H,3,11-15,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112521 (4-Amino-2-(3-{2-ethyl-6-[1-(1-imino-ethyl)-piperid...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cc(N)ccc1O |w:23.26| Show InChI InChI=1S/C25H31N5O2/c1-3-25-28-22-8-7-21(32-20-10-13-29(14-11-20)17(2)26)16-23(22)30(25)12-4-5-18-15-19(27)6-9-24(18)31/h4-9,15-16,20,26,31H,3,10-14,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112524 (7-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]...) Show SMILES CCc1nc2c(c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N)[N+]([O-])=O Show InChI InChI=1S/C28H31N7O3/c1-3-25-32-26-23(34(25)16-18-4-5-19-6-7-20(28(30)31)15-21(19)14-18)8-9-24(27(26)35(36)37)38-22-10-12-33(13-11-22)17(2)29/h4-9,14-15,22,29H,3,10-13,16H2,1-2H3,(H3,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112513 (4-Amino-2-(3-{2-ethyl-5-[1-(1-imino-ethyl)-piperid...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC=Cc1cc(N)ccc1O |w:23.26| Show InChI InChI=1S/C25H31N5O2/c1-3-25-28-22-16-21(32-20-10-13-29(14-11-20)17(2)26)7-8-23(22)30(25)12-4-5-18-15-19(27)6-9-24(18)31/h4-9,15-16,20,26,31H,3,10-14,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112516 (7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-isopr...) Show SMILES CC(C)c1nc2c(c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N)[N+]([O-])=O Show InChI InChI=1S/C29H33N7O3/c1-17(2)29-33-26-24(35(29)16-19-4-5-20-6-7-21(28(31)32)15-22(20)14-19)8-9-25(27(26)36(37)38)39-23-10-12-34(13-11-23)18(3)30/h4-9,14-15,17,23,30H,10-13,16H2,1-3H3,(H3,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112494 (7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-methy...) Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(C)nc2c1[N+]([O-])=O |(-7.32,-3.83,;-5.99,-4.62,;-5.99,-6.16,;-4.66,-3.85,;-3.33,-4.63,;-1.98,-3.86,;-1.98,-2.33,;-3.33,-1.55,;-4.64,-2.31,;-.65,-1.56,;.68,-2.33,;.68,-3.87,;2.01,-4.64,;3.36,-3.86,;4.81,-4.34,;4.83,-5.88,;6.16,-6.65,;6.16,-8.17,;7.49,-8.94,;8.82,-8.17,;10.16,-8.94,;11.49,-8.17,;11.49,-6.61,;10.13,-5.86,;8.82,-6.63,;7.47,-5.86,;12.81,-5.83,;12.79,-4.29,;14.15,-6.59,;5.72,-3.09,;7.26,-3.09,;4.81,-1.84,;3.36,-2.32,;2.01,-1.55,;2.01,-.01,;3.34,.76,;.68,.75,)| Show InChI InChI=1S/C27H29N7O3/c1-16(28)32-11-9-22(10-12-32)37-24-8-7-23-25(26(24)34(35)36)31-17(2)33(23)15-18-3-4-19-5-6-20(27(29)30)14-21(19)13-18/h3-8,13-14,22,28H,9-12,15H2,1-2H3,(H3,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112514 (3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC(C)=Cc1cccc(N)c1 |w:24.27| Show InChI InChI=1S/C26H33N5O/c1-4-26-29-24-16-23(32-22-10-12-30(13-11-22)19(3)27)8-9-25(24)31(26)17-18(2)14-20-6-5-7-21(28)15-20/h5-9,14-16,22,27H,4,10-13,17,28H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112528 (3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC=Cc1cccc(N)c1 |w:23.26| Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-17-22(31-21-11-14-29(15-12-21)18(2)26)9-10-24(23)30(25)13-5-7-19-6-4-8-20(27)16-19/h4-10,16-17,21,26H,3,11-15,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112526 (3'-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1cccc(c1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-18-26(37-25-12-14-35(15-13-25)20(2)31)10-11-28(27)36(29)19-21-6-4-7-22(16-21)23-8-5-9-24(17-23)30(32)33/h4-11,16-18,25,31H,3,12-15,19H2,1-2H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112512 (3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC(C)=Cc1cccc(N)c1 |w:24.27| Show InChI InChI=1S/C26H33N5O/c1-4-26-29-24-9-8-23(32-22-10-12-30(13-11-22)19(3)27)16-25(24)31(26)17-18(2)14-20-6-5-7-21(28)15-20/h5-9,14-16,22,27H,4,10-13,17,28H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112529 (4'-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1ccc(cc1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-12-11-26(37-25-13-15-35(16-14-25)20(2)31)18-28(27)36(29)19-21-7-9-22(10-8-21)23-5-4-6-24(17-23)30(32)33/h4-12,17-18,25,31H,3,13-16,19H2,1-2H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112516 (7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-isopr...) Show SMILES CC(C)c1nc2c(c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N)[N+]([O-])=O Show InChI InChI=1S/C29H33N7O3/c1-17(2)29-33-26-24(35(29)16-19-4-5-20-6-7-21(28(31)32)15-22(20)14-19)8-9-25(27(26)36(37)38)39-23-10-12-34(13-11-23)18(3)30/h4-9,14-15,17,23,30H,10-13,16H2,1-3H3,(H3,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112494 (7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-methy...) Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(C)nc2c1[N+]([O-])=O |(-7.32,-3.83,;-5.99,-4.62,;-5.99,-6.16,;-4.66,-3.85,;-3.33,-4.63,;-1.98,-3.86,;-1.98,-2.33,;-3.33,-1.55,;-4.64,-2.31,;-.65,-1.56,;.68,-2.33,;.68,-3.87,;2.01,-4.64,;3.36,-3.86,;4.81,-4.34,;4.83,-5.88,;6.16,-6.65,;6.16,-8.17,;7.49,-8.94,;8.82,-8.17,;10.16,-8.94,;11.49,-8.17,;11.49,-6.61,;10.13,-5.86,;8.82,-6.63,;7.47,-5.86,;12.81,-5.83,;12.79,-4.29,;14.15,-6.59,;5.72,-3.09,;7.26,-3.09,;4.81,-1.84,;3.36,-2.32,;2.01,-1.55,;2.01,-.01,;3.34,.76,;.68,.75,)| Show InChI InChI=1S/C27H29N7O3/c1-16(28)32-11-9-22(10-12-32)37-24-8-7-23-25(26(24)34(35)36)31-17(2)33(23)15-18-3-4-19-5-6-20(27(29)30)14-21(19)13-18/h3-8,13-14,22,28H,9-12,15H2,1-2H3,(H3,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50088957 (7-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N Show InChI InChI=1S/C28H32N6O/c1-3-27-32-25-16-24(35-23-10-12-33(13-11-23)18(2)29)8-9-26(25)34(27)17-19-4-5-20-6-7-21(28(30)31)15-22(20)14-19/h4-9,14-16,23,29H,3,10-13,17H2,1-2H3,(H3,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112524 (7-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]...) Show SMILES CCc1nc2c(c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N)[N+]([O-])=O Show InChI InChI=1S/C28H31N7O3/c1-3-25-32-26-23(34(25)16-18-4-5-19-6-7-20(28(30)31)15-21(19)14-18)8-9-24(27(26)35(36)37)38-22-10-12-33(13-11-22)17(2)29/h4-9,14-15,22,29H,3,10-13,16H2,1-2H3,(H3,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112523 (7-{4-Dimethylamino-2-ethyl-5-[1-(1-imino-ethyl)-pi...) Show SMILES CCc1nc2c(N(C)C)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N Show InChI InChI=1S/C30H37N7O/c1-5-27-34-28-25(37(27)18-20-6-7-21-8-9-22(30(32)33)17-23(21)16-20)10-11-26(29(28)35(3)4)38-24-12-14-36(15-13-24)19(2)31/h6-11,16-17,24,31H,5,12-15,18H2,1-4H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50088957 (7-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N Show InChI InChI=1S/C28H32N6O/c1-3-27-32-25-16-24(35-23-10-12-33(13-11-23)18(2)29)8-9-26(25)34(27)17-19-4-5-20-6-7-21(28(30)31)15-22(20)14-19/h4-9,14-16,23,29H,3,10-13,17H2,1-2H3,(H3,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112514 (3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC(C)=Cc1cccc(N)c1 |w:24.27| Show InChI InChI=1S/C26H33N5O/c1-4-26-29-24-16-23(32-22-10-12-30(13-11-22)19(3)27)8-9-25(24)31(26)17-18(2)14-20-6-5-7-21(28)15-20/h5-9,14-16,22,27H,4,10-13,17,28H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112530 (7-{4-Amino-2-ethyl-5-[1-(1-imino-ethyl)-piperidin-...) Show SMILES CCc1nc2c(N)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N Show InChI InChI=1S/C28H33N7O/c1-3-25-33-27-23(8-9-24(26(27)30)36-22-10-12-34(13-11-22)17(2)29)35(25)16-18-4-5-19-6-7-20(28(31)32)15-21(19)14-18/h4-9,14-15,22,29H,3,10-13,16,30H2,1-2H3,(H3,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112523 (7-{4-Dimethylamino-2-ethyl-5-[1-(1-imino-ethyl)-pi...) Show SMILES CCc1nc2c(N(C)C)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N Show InChI InChI=1S/C30H37N7O/c1-5-27-34-28-25(37(27)18-20-6-7-21-8-9-22(30(32)33)17-23(21)16-20)10-11-26(29(28)35(3)4)38-24-12-14-36(15-13-24)19(2)31/h6-11,16-17,24,31H,5,12-15,18H2,1-4H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112517 (3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cc(N)ccc1OC |w:23.26| Show InChI InChI=1S/C26H33N5O2/c1-4-26-29-23-9-8-22(33-21-11-14-30(15-12-21)18(2)27)17-24(23)31(26)13-5-6-19-16-20(28)7-10-25(19)32-3/h5-10,16-17,21,27H,4,11-15,28H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112519 (({1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-2-ethy...) Show SMILES CCc1nc2c(N(CC(O)=O)CC(O)=O)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N Show InChI InChI=1S/C32H37N7O5/c1-3-27-36-30-25(39(27)16-20-4-5-21-6-7-22(32(34)35)15-23(21)14-20)8-9-26(31(30)38(17-28(40)41)18-29(42)43)44-24-10-12-37(13-11-24)19(2)33/h4-9,14-15,24,33H,3,10-13,16-18H2,1-2H3,(H3,34,35)(H,40,41)(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112510 (4'-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc(cc1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-18-26(37-25-13-15-35(16-14-25)20(2)31)11-12-28(27)36(29)19-21-7-9-22(10-8-21)23-5-4-6-24(17-23)30(32)33/h4-12,17-18,25,31H,3,13-16,19H2,1-2H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112518 (3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cccc(N)c1 |w:23.26| Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-10-9-22(31-21-11-14-29(15-12-21)18(2)26)17-24(23)30(25)13-5-7-19-6-4-8-20(27)16-19/h4-10,16-17,21,26H,3,11-15,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112508 (4'-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1ccc(cc1)-c1ccc(cc1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-13-12-26(37-25-14-16-35(17-15-25)20(2)31)18-28(27)36(29)19-21-4-6-22(7-5-21)23-8-10-24(11-9-23)30(32)33/h4-13,18,25,31H,3,14-17,19H2,1-2H3,(H3,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against thrombin (IIa)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112530 (7-{4-Amino-2-ethyl-5-[1-(1-imino-ethyl)-piperidin-...) Show SMILES CCc1nc2c(N)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N Show InChI InChI=1S/C28H33N7O/c1-3-25-33-27-23(8-9-24(26(27)30)36-22-10-12-34(13-11-22)17(2)29)35(25)16-18-4-5-19-6-7-20(28(31)32)15-21(19)14-18/h4-9,14-15,22,29H,3,10-13,16,30H2,1-2H3,(H3,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112522 (CHEMBL280769 | N-{1-(7-Carbamimidoyl-naphthalen-2-...) Show SMILES CCc1nc2c(NC(C)=O)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N Show InChI InChI=1S/C30H35N7O2/c1-4-27-35-28-25(37(27)17-20-5-6-21-7-8-22(30(32)33)16-23(21)15-20)9-10-26(29(28)34-19(3)38)39-24-11-13-36(14-12-24)18(2)31/h5-10,15-16,24,31H,4,11-14,17H2,1-3H3,(H3,32,33)(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112528 (3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC=Cc1cccc(N)c1 |w:23.26| Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-17-22(31-21-11-14-29(15-12-21)18(2)26)9-10-24(23)30(25)13-5-7-19-6-4-8-20(27)16-19/h4-10,16-17,21,26H,3,11-15,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112511 (3'-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1cccc(c1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-11-10-26(37-25-12-14-35(15-13-25)20(2)31)18-28(27)36(29)19-21-6-4-7-22(16-21)23-8-5-9-24(17-23)30(32)33/h4-11,16-18,25,31H,3,12-15,19H2,1-2H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112521 (4-Amino-2-(3-{2-ethyl-6-[1-(1-imino-ethyl)-piperid...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cc(N)ccc1O |w:23.26| Show InChI InChI=1S/C25H31N5O2/c1-3-25-28-22-8-7-21(32-20-10-13-29(14-11-20)17(2)26)16-23(22)30(25)12-4-5-18-15-19(27)6-9-24(18)31/h4-9,15-16,20,26,31H,3,10-14,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112519 (({1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-2-ethy...) Show SMILES CCc1nc2c(N(CC(O)=O)CC(O)=O)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N Show InChI InChI=1S/C32H37N7O5/c1-3-27-36-30-25(39(27)16-20-4-5-21-6-7-22(32(34)35)15-23(21)14-20)8-9-26(31(30)38(17-28(40)41)18-29(42)43)44-24-10-12-37(13-11-24)19(2)33/h4-9,14-15,24,33H,3,10-13,16-18H2,1-2H3,(H3,34,35)(H,40,41)(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112522 (CHEMBL280769 | N-{1-(7-Carbamimidoyl-naphthalen-2-...) Show SMILES CCc1nc2c(NC(C)=O)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N Show InChI InChI=1S/C30H35N7O2/c1-4-27-35-28-25(37(27)17-20-5-6-21-7-8-22(30(32)33)16-23(21)15-20)9-10-26(29(28)34-19(3)38)39-24-11-13-36(14-12-24)18(2)31/h5-10,15-16,24,31H,4,11-14,17H2,1-3H3,(H3,32,33)(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112527 (3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC=Cc1cc(N)ccc1OC |w:23.26| Show InChI InChI=1S/C26H33N5O2/c1-4-26-29-23-17-22(33-21-11-14-30(15-12-21)18(2)27)8-9-24(23)31(26)13-5-6-19-16-20(28)7-10-25(19)32-3/h5-10,16-17,21,27H,4,11-15,28H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112531 (4-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1C\C=C\c1ccc(N)cc1 Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-11-10-22(31-21-12-15-29(16-13-21)18(2)26)17-24(23)30(25)14-4-5-19-6-8-20(27)9-7-19/h4-11,17,21,26H,3,12-16,27H2,1-2H3/b5-4+,26-18?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112526 (3'-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1cccc(c1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-18-26(37-25-12-14-35(15-13-25)20(2)31)10-11-28(27)36(29)19-21-6-4-7-22(16-21)23-8-5-9-24(17-23)30(32)33/h4-11,16-18,25,31H,3,12-15,19H2,1-2H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112512 (3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC(C)=Cc1cccc(N)c1 |w:24.27| Show InChI InChI=1S/C26H33N5O/c1-4-26-29-24-9-8-23(32-22-10-12-30(13-11-22)19(3)27)16-25(24)31(26)17-18(2)14-20-6-5-7-21(28)15-20/h5-9,14-16,22,27H,4,10-13,17,28H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112529 (4'-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1ccc(cc1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-12-11-26(37-25-13-15-35(16-14-25)20(2)31)18-28(27)36(29)19-21-7-9-22(10-8-21)23-5-4-6-24(17-23)30(32)33/h4-12,17-18,25,31H,3,13-16,19H2,1-2H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112525 (4-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1C\C=C\c1ccc(N)cc1 Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-17-22(31-21-12-15-29(16-13-21)18(2)26)10-11-24(23)30(25)14-4-5-19-6-8-20(27)9-7-19/h4-11,17,21,26H,3,12-16,27H2,1-2H3/b5-4+,26-18?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112521 (4-Amino-2-(3-{2-ethyl-6-[1-(1-imino-ethyl)-piperid...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cc(N)ccc1O |w:23.26| Show InChI InChI=1S/C25H31N5O2/c1-3-25-28-22-8-7-21(32-20-10-13-29(14-11-20)17(2)26)16-23(22)30(25)12-4-5-18-15-19(27)6-9-24(18)31/h4-9,15-16,20,26,31H,3,10-14,27H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against thrombin (IIa)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112508 (4'-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1ccc(cc1)-c1ccc(cc1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-13-12-26(37-25-14-16-35(17-15-25)20(2)31)18-28(27)36(29)19-21-4-6-22(7-5-21)23-8-10-24(11-9-23)30(32)33/h4-13,18,25,31H,3,14-17,19H2,1-2H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112513 (4-Amino-2-(3-{2-ethyl-5-[1-(1-imino-ethyl)-piperid...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1CC=Cc1cc(N)ccc1O |w:23.26| Show InChI InChI=1S/C25H31N5O2/c1-3-25-28-22-16-21(32-20-10-13-29(14-11-20)17(2)26)7-8-23(22)30(25)12-4-5-18-15-19(27)6-9-24(18)31/h4-9,15-16,20,26,31H,3,10-14,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112517 (3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cc(N)ccc1OC |w:23.26| Show InChI InChI=1S/C26H33N5O2/c1-4-26-29-23-9-8-22(33-21-11-14-30(15-12-21)18(2)27)17-24(23)31(26)13-5-6-19-16-20(28)7-10-25(19)32-3/h5-10,16-17,21,27H,4,11-15,28H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112510 (4'-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc(cc1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-18-26(37-25-13-15-35(16-14-25)20(2)31)11-12-28(27)36(29)19-21-7-9-22(10-8-21)23-5-4-6-24(17-23)30(32)33/h4-12,17-18,25,31H,3,13-16,19H2,1-2H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112515 (4'-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc(cc1)-c1ccc(cc1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-18-26(37-25-14-16-35(17-15-25)20(2)31)12-13-28(27)36(29)19-21-4-6-22(7-5-21)23-8-10-24(11-9-23)30(32)33/h4-13,18,25,31H,3,14-17,19H2,1-2H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112509 (3'-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1cccc(c1)-c1ccc(cc1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-12-11-26(37-25-13-15-35(16-14-25)20(2)31)18-28(27)36(29)19-21-5-4-6-24(17-21)22-7-9-23(10-8-22)30(32)33/h4-12,17-18,25,31H,3,13-16,19H2,1-2H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112508 (4'-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1ccc(cc1)-c1ccc(cc1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-13-12-26(37-25-14-16-35(17-15-25)20(2)31)18-28(27)36(29)19-21-4-6-22(7-5-21)23-8-10-24(11-9-23)30(32)33/h4-13,18,25,31H,3,14-17,19H2,1-2H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112511 (3'-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1cccc(c1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-11-10-26(37-25-12-14-35(15-13-25)20(2)31)18-28(27)36(29)19-21-6-4-7-22(16-21)23-8-5-9-24(17-23)30(32)33/h4-11,16-18,25,31H,3,12-15,19H2,1-2H3,(H3,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against thrombin (IIa)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112511 (3'-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1Cc1cccc(c1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-11-10-26(37-25-12-14-35(15-13-25)20(2)31)18-28(27)36(29)19-21-6-4-7-22(16-21)23-8-5-9-24(17-23)30(32)33/h4-11,16-18,25,31H,3,12-15,19H2,1-2H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112518 (3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cccc(N)c1 |w:23.26| Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-10-9-22(31-21-11-14-29(15-12-21)18(2)26)17-24(23)30(25)13-5-7-19-6-4-8-20(27)16-19/h4-10,16-17,21,26H,3,11-15,27H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against thrombin (IIa)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112510 (4'-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc(cc1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-18-26(37-25-13-15-35(16-14-25)20(2)31)11-12-28(27)36(29)19-21-7-9-22(10-8-21)23-5-4-6-24(17-23)30(32)33/h4-12,17-18,25,31H,3,13-16,19H2,1-2H3,(H3,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against thrombin (IIa)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair

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