Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50008199   

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))	BDBM17284 (2-{[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-diflu...) Show SMILES CN(CC(O)=O)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:18| Show InChI InChI=1S/C25H24F2N6O5/c1-32-9-8-30-23(32)14-4-3-5-15(10-14)37-24-19(26)21(33(2)12-18(35)36)20(27)25(31-24)38-17-11-13(22(28)29)6-7-16(17)34/h3-7,10-11,34H,8-9,12H2,1-2H3,(H3,28,29)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human Coagulation factor X				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50066623 (CHEMBL72318 | {[2-(5-Carbamimidoyl-2-hydroxy-pheno...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(N(C)CC(O)=O)c2F)c1 Show InChI InChI=1S/C24H23F2N5O6/c1-30(2)24(35)13-5-4-6-14(9-13)36-22-18(25)20(31(3)11-17(33)34)19(26)23(29-22)37-16-10-12(21(27)28)7-8-15(16)32/h4-10,32H,11H2,1-3H3,(H3,27,28)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human Coagulation factor X				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50071415 (3-[9-Benzyl-6-(5-carbamimidoyl-2-hydroxy-phenoxy)-...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c3nc(C)n(Cc4ccccc4)c3n2)c1 Show InChI InChI=1S/C29H27N7O4/c1-17-32-24-26(36(17)16-18-8-5-4-6-9-18)33-29(39-21-11-7-10-20(14-21)28(38)35(2)3)34-27(24)40-23-15-19(25(30)31)12-13-22(23)37/h4-15,37H,16H2,1-3H3,(H3,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human Coagulation factor X				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM17277 ((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human Coagulation factor X				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50071419 (3-[9-Benzyl-2-(5-carbamimidoyl-2-hydroxy-phenoxy)-...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)nc3n(Cc4ccccc4)c(C)nc23)c1 Show InChI InChI=1S/C29H27N7O4/c1-17-32-24-26(36(17)16-18-8-5-4-6-9-18)33-29(40-23-15-19(25(30)31)12-13-22(23)37)34-27(24)39-21-11-7-10-20(14-21)28(38)35(2)3/h4-15,37H,16H2,1-3H3,(H3,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Compound was tested for inhibitory activity against human Coagulation factor X				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50071417 (3-[4-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-oxo-5,6...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc3NCC(=O)Nc3c(Oc3cc(ccc3O)C(N)=N)n2)c1 Show InChI InChI=1S/C22H21N7O5/c1-29(2)21(32)12-4-3-5-13(8-12)33-22-27-19-17(26-16(31)10-25-19)20(28-22)34-15-9-11(18(23)24)6-7-14(15)30/h3-9,30H,10H2,1-2H3,(H3,23,24)(H,26,31)(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human Coagulation factor X				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM17277 ((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50066633 (3-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-meth...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(C)c2F)c1 Show InChI InChI=1S/C22H20F2N4O3/c1-12-17(23)20(30-15-8-4-6-13(10-15)19(25)26)27-21(18(12)24)31-16-9-5-7-14(11-16)22(29)28(2)3/h4-11H,1-3H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human Coagulation factor X				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50071418 (3-[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-oxo-5,6...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)nc3NCC(=O)Nc23)c1 Show InChI InChI=1S/C22H21N7O5/c1-29(2)21(32)12-4-3-5-13(8-12)33-20-17-19(25-10-16(31)26-17)27-22(28-20)34-15-9-11(18(23)24)6-7-14(15)30/h3-9,30H,10H2,1-2H3,(H3,23,24)(H,26,31)(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human Coagulation factor X				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50071416 (3-[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-oxo-6,7...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)nc3OCC(=O)Nc23)c1 Show InChI InChI=1S/C22H20N6O6/c1-28(2)21(31)12-4-3-5-13(8-12)33-20-17-19(32-10-16(30)25-17)26-22(27-20)34-15-9-11(18(23)24)6-7-14(15)29/h3-9,29H,10H2,1-2H3,(H3,23,24)(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human Coagulation factor X				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50071415 (3-[9-Benzyl-6-(5-carbamimidoyl-2-hydroxy-phenoxy)-...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c3nc(C)n(Cc4ccccc4)c3n2)c1 Show InChI InChI=1S/C29H27N7O4/c1-17-32-24-26(36(17)16-18-8-5-4-6-9-18)33-29(39-21-11-7-10-20(14-21)28(38)35(2)3)34-27(24)40-23-15-19(25(30)31)12-13-22(23)37/h4-15,37H,16H2,1-3H3,(H3,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Compound was tested for inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM17284 (2-{[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-diflu...) Show SMILES CN(CC(O)=O)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:18| Show InChI InChI=1S/C25H24F2N6O5/c1-32-9-8-30-23(32)14-4-3-5-15(10-14)37-24-19(26)21(33(2)12-18(35)36)20(27)25(31-24)38-17-11-13(22(28)29)6-7-16(17)34/h3-7,10-11,34H,8-9,12H2,1-2H3,(H3,28,29)(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50071417 (3-[4-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-oxo-5,6...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc3NCC(=O)Nc3c(Oc3cc(ccc3O)C(N)=N)n2)c1 Show InChI InChI=1S/C22H21N7O5/c1-29(2)21(32)12-4-3-5-13(8-12)33-22-27-19-17(26-16(31)10-25-19)20(28-22)34-15-9-11(18(23)24)6-7-14(15)30/h3-9,30H,10H2,1-2H3,(H3,23,24)(H,26,31)(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM17277 ((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...) Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071415 (3-[9-Benzyl-6-(5-carbamimidoyl-2-hydroxy-phenoxy)-...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c3nc(C)n(Cc4ccccc4)c3n2)c1 Show InChI InChI=1S/C29H27N7O4/c1-17-32-24-26(36(17)16-18-8-5-4-6-9-18)33-29(39-21-11-7-10-20(14-21)28(38)35(2)3)34-27(24)40-23-15-19(25(30)31)12-13-22(23)37/h4-15,37H,16H2,1-3H3,(H3,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50071419 (3-[9-Benzyl-2-(5-carbamimidoyl-2-hydroxy-phenoxy)-...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)nc3n(Cc4ccccc4)c(C)nc23)c1 Show InChI InChI=1S/C29H27N7O4/c1-17-32-24-26(36(17)16-18-8-5-4-6-9-18)33-29(40-23-15-19(25(30)31)12-13-22(23)37)34-27(24)39-21-11-7-10-20(14-21)28(38)35(2)3/h4-15,37H,16H2,1-3H3,(H3,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071417 (3-[4-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-oxo-5,6...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc3NCC(=O)Nc3c(Oc3cc(ccc3O)C(N)=N)n2)c1 Show InChI InChI=1S/C22H21N7O5/c1-29(2)21(32)12-4-3-5-13(8-12)33-22-27-19-17(26-16(31)10-25-19)20(28-22)34-15-9-11(18(23)24)6-7-14(15)30/h3-9,30H,10H2,1-2H3,(H3,23,24)(H,26,31)(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50066623 (CHEMBL72318 | {[2-(5-Carbamimidoyl-2-hydroxy-pheno...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(N(C)CC(O)=O)c2F)c1 Show InChI InChI=1S/C24H23F2N5O6/c1-30(2)24(35)13-5-4-6-14(9-13)36-22-18(25)20(31(3)11-17(33)34)19(26)23(29-22)37-16-10-12(21(27)28)7-8-15(16)32/h4-10,32H,11H2,1-3H3,(H3,27,28)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071419 (3-[9-Benzyl-2-(5-carbamimidoyl-2-hydroxy-phenoxy)-...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)nc3n(Cc4ccccc4)c(C)nc23)c1 Show InChI InChI=1S/C29H27N7O4/c1-17-32-24-26(36(17)16-18-8-5-4-6-9-18)33-29(40-23-15-19(25(30)31)12-13-22(23)37)34-27(24)39-21-11-7-10-20(14-21)28(38)35(2)3/h4-15,37H,16H2,1-3H3,(H3,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM17284 (2-{[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-diflu...) Show SMILES CN(CC(O)=O)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:18| Show InChI InChI=1S/C25H24F2N6O5/c1-32-9-8-30-23(32)14-4-3-5-15(10-14)37-24-19(26)21(33(2)12-18(35)36)20(27)25(31-24)38-17-11-13(22(28)29)6-7-16(17)34/h3-7,10-11,34H,8-9,12H2,1-2H3,(H3,28,29)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50071418 (3-[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-oxo-5,6...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)nc3NCC(=O)Nc23)c1 Show InChI InChI=1S/C22H21N7O5/c1-29(2)21(32)12-4-3-5-13(8-12)33-20-17-19(25-10-16(31)26-17)27-22(28-20)34-15-9-11(18(23)24)6-7-14(15)30/h3-9,30H,10H2,1-2H3,(H3,23,24)(H,26,31)(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50066633 (3-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-meth...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(C)c2F)c1 Show InChI InChI=1S/C22H20F2N4O3/c1-12-17(23)20(30-15-8-4-6-13(10-15)19(25)26)27-21(18(12)24)31-16-9-5-7-14(11-16)22(29)28(2)3/h4-11H,1-3H3,(H3,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066623 (CHEMBL72318 | {[2-(5-Carbamimidoyl-2-hydroxy-pheno...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(N(C)CC(O)=O)c2F)c1 Show InChI InChI=1S/C24H23F2N5O6/c1-30(2)24(35)13-5-4-6-14(9-13)36-22-18(25)20(31(3)11-17(33)34)19(26)23(29-22)37-16-10-12(21(27)28)7-8-15(16)32/h4-10,32H,11H2,1-3H3,(H3,27,28)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50071416 (3-[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-oxo-6,7...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)nc3OCC(=O)Nc23)c1 Show InChI InChI=1S/C22H20N6O6/c1-28(2)21(31)12-4-3-5-13(8-12)33-20-17-19(32-10-16(30)25-17)26-22(27-20)34-15-9-11(18(23)24)6-7-14(15)29/h3-9,29H,10H2,1-2H3,(H3,23,24)(H,25,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066633 (3-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-meth...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(C)c2F)c1 Show InChI InChI=1S/C22H20F2N4O3/c1-12-17(23)20(30-15-8-4-6-13(10-15)19(25)26)27-21(18(12)24)31-16-9-5-7-14(11-16)22(29)28(2)3/h4-11H,1-3H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071418 (3-[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-oxo-5,6...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)nc3NCC(=O)Nc23)c1 Show InChI InChI=1S/C22H21N7O5/c1-29(2)21(32)12-4-3-5-13(8-12)33-20-17-19(25-10-16(31)26-17)27-22(28-20)34-15-9-11(18(23)24)6-7-14(15)30/h3-9,30H,10H2,1-2H3,(H3,23,24)(H,26,31)(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071416 (3-[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-oxo-6,7...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)nc3OCC(=O)Nc23)c1 Show InChI InChI=1S/C22H20N6O6/c1-28(2)21(31)12-4-3-5-13(8-12)33-20-17-19(32-10-16(30)25-17)26-22(27-20)34-15-9-11(18(23)24)6-7-14(15)29/h3-9,29H,10H2,1-2H3,(H3,23,24)(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair