Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'iwamoto' and Initial = 'm'   

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))	BDBM17283 ((2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-{[(3S...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O |r| Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50041220 (1,2-bis(5-amidinobenzofuran-2-yl)ethane | 2-(2-{5-...) Show SMILES NC(=N)c1ccc2oc(CCc3cc4cc(ccc4o3)C(N)=N)cc2c1 Show InChI InChI=1S/C20H18N4O2/c21-19(22)11-1-5-17-13(7-11)9-15(25-17)3-4-16-10-14-8-12(20(23)24)2-6-18(14)26-16/h1-2,5-10H,3-4H2,(H3,21,22)(H3,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041218 (3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-1-(1...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041221 (3-(7-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...) Show SMILES NC(=N)c1ccc2ccc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)cc2c1 Show InChI InChI=1S/C24H25N3O3/c25-23(26)18-4-3-16-2-1-15(11-19(16)13-18)12-22(24(28)29)17-5-7-20(8-6-17)30-21-9-10-27-14-21/h1-8,11,13,21-22,27H,9-10,12,14H2,(H3,25,26)(H,28,29)/t21-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041231 (3-(7-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...) Show SMILES CCOC(=O)C(Cc1ccc2ccc(cc2c1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1 Show InChI InChI=1S/C26H29N3O3/c1-2-31-26(30)24(19-7-9-22(10-8-19)32-23-11-12-29-16-23)14-17-3-4-18-5-6-20(25(27)28)15-21(18)13-17/h3-10,13,15,23-24,29H,2,11-12,14,16H2,1H3,(H3,27,28)/t23-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041219 (3-(6-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-1-(1...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1ccc2cc(ccc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-18(7-9-22)24(26(31)32)13-17-2-3-20-14-21(25(28)29)5-4-19(20)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041224 ((R)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041217 (3-(5-Carbamimidoyl-benzofuran-2-yl)-2-{4-[(S)-1-(1...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1cc2cc(ccc2o1)C(N)=N)C(O)=O Show InChI InChI=1S/C24H26N4O4/c1-14(25)28-9-8-19(13-28)31-18-5-2-15(3-6-18)21(24(29)30)12-20-11-17-10-16(23(26)27)4-7-22(17)32-20/h2-7,10-11,19,21,25H,8-9,12-13H2,1H3,(H3,26,27)(H,29,30)/t19-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041216 (2-(2-{4-[(S)-1-(1-Imino-ethyl)-pyrrolidin-3-yloxy]...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(CCc2cc3cc(ccc3o2)C(N)=N)cc1 Show InChI InChI=1S/C23H26N4O2/c1-15(24)27-11-10-21(14-27)28-19-6-2-16(3-7-19)4-8-20-13-18-12-17(23(25)26)5-9-22(18)29-20/h2-3,5-7,9,12-13,21,24H,4,8,10-11,14H2,1H3,(H3,25,26)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041223 (3-(6-Carbamimidoyl-benzofuran-2-yl)-2-{4-[(S)-1-(1...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1cc2ccc(cc2o1)C(N)=N)C(O)=O Show InChI InChI=1S/C24H26N4O4/c1-14(25)28-9-8-19(13-28)31-18-6-4-15(5-7-18)21(24(29)30)12-20-10-16-2-3-17(23(26)27)11-22(16)32-20/h2-7,10-11,19,21,25H,8-9,12-13H2,1H3,(H3,26,27)(H,29,30)/t19-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041215 (2-{2-[4-((S)-Pyrrolidin-3-yloxy)-phenyl]-ethyl}-be...) Show SMILES NC(=N)c1ccc2oc(CCc3ccc(O[C@H]4CCNC4)cc3)cc2c1 Show InChI InChI=1S/C21H23N3O2/c22-21(23)15-4-8-20-16(11-15)12-18(26-20)7-3-14-1-5-17(6-2-14)25-19-9-10-24-13-19/h1-2,4-6,8,11-12,19,24H,3,7,9-10,13H2,(H3,22,23)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041222 (3-(5-Carbamimidoyl-benzofuran-2-yl)-2-[4-((S)-pyrr...) Show SMILES CCOC(=O)C(Cc1cc2cc(ccc2o1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1 Show InChI InChI=1S/C24H27N3O4/c1-2-29-24(28)21(15-3-6-18(7-4-15)30-19-9-10-27-14-19)13-20-12-17-11-16(23(25)26)5-8-22(17)31-20/h3-8,11-12,19,21,27H,2,9-10,13-14H2,1H3,(H3,25,26)/t19-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041226 (3-(5-Carbamimidoyl-benzofuran-2-yl)-2-[4-((S)-pyrr...) Show SMILES NC(=N)c1ccc2oc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)cc2c1 Show InChI InChI=1S/C22H23N3O4/c23-21(24)14-3-6-20-15(9-14)10-18(29-20)11-19(22(26)27)13-1-4-16(5-2-13)28-17-7-8-25-12-17/h1-6,9-10,17,19,25H,7-8,11-12H2,(H3,23,24)(H,26,27)/t17-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041227 (3-(6-Carbamimidoyl-benzofuran-2-yl)-2-[4-((S)-pyrr...) Show SMILES NC(=N)c1ccc2cc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)oc2c1 Show InChI InChI=1S/C22H23N3O4/c23-21(24)15-2-1-14-9-18(29-20(14)10-15)11-19(22(26)27)13-3-5-16(6-4-13)28-17-7-8-25-12-17/h1-6,9-10,17,19,25H,7-8,11-12H2,(H3,23,24)(H,26,27)/t17-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041214 (3-(6-Carbamimidoyl-benzofuran-2-yl)-2-[4-((S)-pyrr...) Show SMILES CCOC(=O)C(Cc1cc2ccc(cc2o1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1 Show InChI InChI=1S/C24H27N3O4/c1-2-29-24(28)21(15-5-7-18(8-6-15)30-19-9-10-27-14-19)13-20-11-16-3-4-17(23(25)26)12-22(16)31-20/h3-8,11-12,19,21,27H,2,9-10,13-14H2,1H3,(H3,25,26)/t19-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041216 (2-(2-{4-[(S)-1-(1-Imino-ethyl)-pyrrolidin-3-yloxy]...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(CCc2cc3cc(ccc3o2)C(N)=N)cc1 Show InChI InChI=1S/C23H26N4O2/c1-15(24)27-11-10-21(14-27)28-19-6-2-16(3-7-19)4-8-20-13-18-12-17(23(25)26)5-9-22(18)29-20/h2-3,5-7,9,12-13,21,24H,4,8,10-11,14H2,1H3,(H3,25,26)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041225 (3-(6-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...) Show SMILES NC(=N)c1ccc2cc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)ccc2c1 Show InChI InChI=1S/C24H25N3O3/c25-23(26)19-4-3-17-11-15(1-2-18(17)13-19)12-22(24(28)29)16-5-7-20(8-6-16)30-21-9-10-27-14-21/h1-8,11,13,21-22,27H,9-10,12,14H2,(H3,25,26)(H,28,29)/t21-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041228 (3-(6-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...) Show SMILES CCOC(=O)C(Cc1ccc2cc(ccc2c1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1 Show InChI InChI=1S/C26H29N3O3/c1-2-31-26(30)24(18-7-9-22(10-8-18)32-23-11-12-29-16-23)14-17-3-4-20-15-21(25(27)28)6-5-19(20)13-17/h3-10,13,15,23-24,29H,2,11-12,14,16H2,1H3,(H3,27,28)/t23-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041220 (1,2-bis(5-amidinobenzofuran-2-yl)ethane | 2-(2-{5-...) Show SMILES NC(=N)c1ccc2oc(CCc3cc4cc(ccc4o3)C(N)=N)cc2c1 Show InChI InChI=1S/C20H18N4O2/c21-19(22)11-1-5-17-13(7-11)9-15(25-17)3-4-16-10-14-8-12(20(23)24)2-6-18(14)26-16/h1-2,5-10H,3-4H2,(H3,21,22)(H3,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041229 (2-(5-Carbamimidoyl-benzofuran-2-yl)-3-[4-((S)-pyrr...) Show SMILES NC(=N)c1ccc2oc(cc2c1)C(Cc1ccc(O[C@H]2CCNC2)cc1)C(O)=O Show InChI InChI=1S/C22H23N3O4/c23-21(24)14-3-6-19-15(10-14)11-20(29-19)18(22(26)27)9-13-1-4-16(5-2-13)28-17-7-8-25-12-17/h1-6,10-11,17-18,25H,7-9,12H2,(H3,23,24)(H,26,27)/t17-,18?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041217 (3-(5-Carbamimidoyl-benzofuran-2-yl)-2-{4-[(S)-1-(1...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1cc2cc(ccc2o1)C(N)=N)C(O)=O Show InChI InChI=1S/C24H26N4O4/c1-14(25)28-9-8-19(13-28)31-18-5-2-15(3-6-18)21(24(29)30)12-20-11-17-10-16(23(26)27)4-7-22(17)32-20/h2-7,10-11,19,21,25H,8-9,12-13H2,1H3,(H3,26,27)(H,29,30)/t19-,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041230 (2-(5-Carbamimidoyl-benzofuran-2-yl)-3-[4-((S)-pyrr...) Show SMILES CCOC(=O)C(Cc1ccc(O[C@H]2CCNC2)cc1)c1cc2cc(ccc2o1)C(N)=N Show InChI InChI=1S/C24H27N3O4/c1-2-29-24(28)20(22-13-17-12-16(23(25)26)5-8-21(17)31-22)11-15-3-6-18(7-4-15)30-19-9-10-27-14-19/h3-8,12-13,19-20,27H,2,9-11,14H2,1H3,(H3,25,26)/t19-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041222 (3-(5-Carbamimidoyl-benzofuran-2-yl)-2-[4-((S)-pyrr...) Show SMILES CCOC(=O)C(Cc1cc2cc(ccc2o1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1 Show InChI InChI=1S/C24H27N3O4/c1-2-29-24(28)21(15-3-6-18(7-4-15)30-19-9-10-27-14-19)13-20-12-17-11-16(23(25)26)5-8-22(17)31-20/h3-8,11-12,19,21,27H,2,9-10,13-14H2,1H3,(H3,25,26)/t19-,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041219 (3-(6-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-1-(1...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1ccc2cc(ccc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-18(7-9-22)24(26(31)32)13-17-2-3-20-14-21(25(28)29)5-4-19(20)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041214 (3-(6-Carbamimidoyl-benzofuran-2-yl)-2-[4-((S)-pyrr...) Show SMILES CCOC(=O)C(Cc1cc2ccc(cc2o1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1 Show InChI InChI=1S/C24H27N3O4/c1-2-29-24(28)21(15-5-7-18(8-6-15)30-19-9-10-27-14-19)13-20-11-16-3-4-17(23(25)26)12-22(16)31-20/h3-8,11-12,19,21,27H,2,9-10,13-14H2,1H3,(H3,25,26)/t19-,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041228 (3-(6-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...) Show SMILES CCOC(=O)C(Cc1ccc2cc(ccc2c1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1 Show InChI InChI=1S/C26H29N3O3/c1-2-31-26(30)24(18-7-9-22(10-8-18)32-23-11-12-29-16-23)14-17-3-4-20-15-21(25(27)28)6-5-19(20)13-17/h3-10,13,15,23-24,29H,2,11-12,14,16H2,1H3,(H3,27,28)/t23-,24?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041229 (2-(5-Carbamimidoyl-benzofuran-2-yl)-3-[4-((S)-pyrr...) Show SMILES NC(=N)c1ccc2oc(cc2c1)C(Cc1ccc(O[C@H]2CCNC2)cc1)C(O)=O Show InChI InChI=1S/C22H23N3O4/c23-21(24)14-3-6-19-15(10-14)11-20(29-19)18(22(26)27)9-13-1-4-16(5-2-13)28-17-7-8-25-12-17/h1-6,10-11,17-18,25H,7-9,12H2,(H3,23,24)(H,26,27)/t17-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041230 (2-(5-Carbamimidoyl-benzofuran-2-yl)-3-[4-((S)-pyrr...) Show SMILES CCOC(=O)C(Cc1ccc(O[C@H]2CCNC2)cc1)c1cc2cc(ccc2o1)C(N)=N Show InChI InChI=1S/C24H27N3O4/c1-2-29-24(28)20(22-13-17-12-16(23(25)26)5-8-21(17)31-22)11-15-3-6-18(7-4-15)30-19-9-10-27-14-19/h3-8,12-13,19-20,27H,2,9-11,14H2,1H3,(H3,25,26)/t19-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041225 (3-(6-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...) Show SMILES NC(=N)c1ccc2cc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)ccc2c1 Show InChI InChI=1S/C24H25N3O3/c25-23(26)19-4-3-17-11-15(1-2-18(17)13-19)12-22(24(28)29)16-5-7-20(8-6-16)30-21-9-10-27-14-21/h1-8,11,13,21-22,27H,9-10,12,14H2,(H3,25,26)(H,28,29)/t21-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041215 (2-{2-[4-((S)-Pyrrolidin-3-yloxy)-phenyl]-ethyl}-be...) Show SMILES NC(=N)c1ccc2oc(CCc3ccc(O[C@H]4CCNC4)cc3)cc2c1 Show InChI InChI=1S/C21H23N3O2/c22-21(23)15-4-8-20-16(11-15)12-18(26-20)7-3-14-1-5-17(6-2-14)25-19-9-10-24-13-19/h1-2,4-6,8,11-12,19,24H,3,7,9-10,13H2,(H3,22,23)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041226 (3-(5-Carbamimidoyl-benzofuran-2-yl)-2-[4-((S)-pyrr...) Show SMILES NC(=N)c1ccc2oc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)cc2c1 Show InChI InChI=1S/C22H23N3O4/c23-21(24)14-3-6-20-15(9-14)10-18(29-20)11-19(22(26)27)13-1-4-16(5-2-13)28-17-7-8-25-12-17/h1-6,9-10,17,19,25H,7-8,11-12H2,(H3,23,24)(H,26,27)/t17-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041223 (3-(6-Carbamimidoyl-benzofuran-2-yl)-2-{4-[(S)-1-(1...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1cc2ccc(cc2o1)C(N)=N)C(O)=O Show InChI InChI=1S/C24H26N4O4/c1-14(25)28-9-8-19(13-28)31-18-6-4-15(5-7-18)21(24(29)30)12-20-10-16-2-3-17(23(26)27)11-22(16)32-20/h2-7,10-11,19,21,25H,8-9,12-13H2,1H3,(H3,26,27)(H,29,30)/t19-,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041231 (3-(7-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...) Show SMILES CCOC(=O)C(Cc1ccc2ccc(cc2c1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1 Show InChI InChI=1S/C26H29N3O3/c1-2-31-26(30)24(19-7-9-22(10-8-19)32-23-11-12-29-16-23)14-17-3-4-18-5-6-20(25(27)28)15-21(18)13-17/h3-10,13,15,23-24,29H,2,11-12,14,16H2,1H3,(H3,27,28)/t23-,24?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041224 ((R)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041227 (3-(6-Carbamimidoyl-benzofuran-2-yl)-2-[4-((S)-pyrr...) Show SMILES NC(=N)c1ccc2cc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)oc2c1 Show InChI InChI=1S/C22H23N3O4/c23-21(24)15-2-1-14-9-18(29-20(14)10-15)11-19(22(26)27)13-3-5-16(6-4-13)28-17-7-8-25-12-17/h1-6,9-10,17,19,25H,7-8,11-12H2,(H3,23,24)(H,26,27)/t17-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041218 (3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-1-(1...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50041221 (3-(7-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...) Show SMILES NC(=N)c1ccc2ccc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)cc2c1 Show InChI InChI=1S/C24H25N3O3/c25-23(26)18-4-3-16-2-1-15(11-19(16)13-18)12-22(24(28)29)17-5-7-20(8-6-17)30-21-9-10-27-14-21/h1-8,11,13,21-22,27H,9-10,12,14H2,(H3,25,26)(H,28,29)/t21-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM17283 ((2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-{[(3S...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O |r| Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair