Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'yokoyama' and Initial = 'y'   

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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50013804 (10,13-Dimethyl-hexadecahydro-cyclopenta[a]phenanth...) Show SMILES CCCCc1cc2c(c[nH]1)nc1ccccc21 Show InChI InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,16H,2-3,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM36371 (5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...) Show SMILES CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM21973 (1-Methyltryptophan, 1 | 2-amino-3-(1-methyl-1H-ind...) Show SMILES Cn1cc(CC(N)C(O)=O)c2ccccc12 Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24813 (Brassinin, 1 | N-(1H-indol-3-ylmethyl)(methylsulfa...) Show SMILES CSC(=S)NCc1c[nH]c2ccccc12 Show InChI InChI=1S/C11H12N2S2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
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))	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))	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))	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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50429162 (CHEMBL2336694) Show SMILES C[C@H]1c2[nH]c3cc(Br)ccc3c2Cc2c(O)n(C)c(=S)n12 |r| Show InChI InChI=1S/C15H14BrN3OS/c1-7-13-10(9-4-3-8(16)5-11(9)17-13)6-12-14(20)18(2)15(21)19(7)12/h3-5,7,17,20H,6H2,1-2H3/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50429160 (CHEMBL2336696) Show SMILES C[C@H]1c2[nH]c3cccc(Cl)c3c2Cc2c(O)n(C)c(=S)n12 |r| Show InChI InChI=1S/C15H14ClN3OS/c1-7-13-8(12-9(16)4-3-5-10(12)17-13)6-11-14(20)18(2)15(21)19(7)11/h3-5,7,17,20H,6H2,1-2H3/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50429165 (CHEMBL2336706) Show SMILES C[C@H]1c2[nH]c3c(ccc4ccccc34)c2Cc2c(O)n(C)c(=S)n12 |r| Show InChI InChI=1S/C19H17N3OS/c1-10-16-14(9-15-18(23)21(2)19(24)22(10)15)13-8-7-11-5-3-4-6-12(11)17(13)20-16/h3-8,10,20,23H,9H2,1-2H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50429166 (CHEMBL2336705) Show SMILES C[C@H]1c2[nH]c3cc4ccccc4cc3c2Cc2c(O)n(C)c(=S)n12 |r| Show InChI InChI=1S/C19H17N3OS/c1-10-17-14(9-16-18(23)21(2)19(24)22(10)16)13-7-11-5-3-4-6-12(11)8-15(13)20-17/h3-8,10,20,23H,9H2,1-2H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50429154 (CHEMBL2336702) Show SMILES C[C@H]1c2[nH]c3cc(ccc3c2Cc2c(O)n(C)c(=S)n12)-c1ccccc1 |r| Show InChI InChI=1S/C21H19N3OS/c1-12-19-16(11-18-20(25)23(2)21(26)24(12)18)15-9-8-14(10-17(15)22-19)13-6-4-3-5-7-13/h3-10,12,22,25H,11H2,1-2H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50429155 (CHEMBL2336701) Show SMILES C[C@H]1c2[nH]c3ccc(cc3c2Cc2c(O)n(C)c(=S)n12)-c1ccccc1 |r| Show InChI InChI=1S/C21H19N3OS/c1-12-19-16(11-18-20(25)23(2)21(26)24(12)18)15-10-14(8-9-17(15)22-19)13-6-4-3-5-7-13/h3-10,12,22,25H,11H2,1-2H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50429164 (CHEMBL2336692) Show SMILES C[C@H]1c2[nH]c3cccc(Br)c3c2Cc2c(O)n(C)c(=S)n12 |r| Show InChI InChI=1S/C15H14BrN3OS/c1-7-13-8(12-9(16)4-3-5-10(12)17-13)6-11-14(20)18(2)15(21)19(7)11/h3-5,7,17,20H,6H2,1-2H3/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50429163 (CHEMBL2336693) Show SMILES C[C@H]1c2[nH]c3ccc(Br)cc3c2Cc2c(O)n(C)c(=S)n12 |r| Show InChI InChI=1S/C15H14BrN3OS/c1-7-13-10(9-5-8(16)3-4-11(9)17-13)6-12-14(20)18(2)15(21)19(7)12/h3-5,7,17,20H,6H2,1-2H3/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM36371 (5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...) Show SMILES CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50429153 (CHEMBL2336703) Show SMILES C[C@H]1c2[nH]c3c(cccc3c2Cc2c(O)n(C)c(=S)n12)-c1ccccc1 |r| Show InChI InChI=1S/C21H19N3OS/c1-12-18-16(11-17-20(25)23(2)21(26)24(12)17)15-10-6-9-14(19(15)22-18)13-7-4-3-5-8-13/h3-10,12,22,25H,11H2,1-2H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50429167 (CHEMBL2336704) Show SMILES C[C@H]1c2[nH]c3ccc4ccccc4c3c2Cc2c(O)n(C)c(=S)n12 |r| Show InChI InChI=1S/C19H17N3OS/c1-10-17-13(9-15-18(23)21(2)19(24)22(10)15)16-12-6-4-3-5-11(12)7-8-14(16)20-17/h3-8,10,20,23H,9H2,1-2H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50429158 (CHEMBL2336698) Show SMILES C[C@H]1c2[nH]c3cc(Cl)ccc3c2Cc2c(O)n(C)c(=S)n12 |r| Show InChI InChI=1S/C15H14ClN3OS/c1-7-13-10(9-4-3-8(16)5-11(9)17-13)6-12-14(20)18(2)15(21)19(7)12/h3-5,7,17,20H,6H2,1-2H3/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50429156 (CHEMBL2336700) Show SMILES C[C@H]1c2[nH]c3cccc(-c4ccccc4)c3c2Cc2c(O)n(C)c(=S)n12 |r| Show InChI InChI=1S/C21H19N3OS/c1-12-19-15(11-17-20(25)23(2)21(26)24(12)17)18-14(9-6-10-16(18)22-19)13-7-4-3-5-8-13/h3-10,12,22,25H,11H2,1-2H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					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))	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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50429161 (CHEMBL2336695) Show SMILES C[C@H]1c2[nH]c3c(Br)cccc3c2Cc2c(O)n(C)c(=S)n12 |r| Show InChI InChI=1S/C15H14BrN3OS/c1-7-12-9(8-4-3-5-10(16)13(8)17-12)6-11-14(20)18(2)15(21)19(7)11/h3-5,7,17,20H,6H2,1-2H3/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50429159 (CHEMBL2336697) Show SMILES C[C@H]1c2[nH]c3ccc(Cl)cc3c2Cc2c(O)n(C)c(=S)n12 |r| Show InChI InChI=1S/C15H14ClN3OS/c1-7-13-10(9-5-8(16)3-4-11(9)17-13)6-12-14(20)18(2)15(21)19(7)12/h3-5,7,17,20H,6H2,1-2H3/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50429157 (CHEMBL2336699) Show SMILES C[C@H]1c2[nH]c3c(Cl)cccc3c2Cc2c(O)n(C)c(=S)n12 |r| Show InChI InChI=1S/C15H14ClN3OS/c1-7-12-9(8-4-3-5-10(16)13(8)17-12)6-11-14(20)18(2)15(21)19(7)11/h3-5,7,17,20H,6H2,1-2H3/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis				Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH
					More data for this Ligand-Target Pair

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