Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'yamagiwa' 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
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095997 (3',4',7-trihydroxyisoflavone | CHEMBL13486) Show SMILES Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096004 (7-Hydroxy-3-[4-(2-oxo-2H-chromen-3-yl)-thiazol-2-y...) Show SMILES Oc1ccc2cc(-c3nc(cs3)-c3cc4ccccc4oc3=O)c(=O)oc2c1 Show InChI InChI=1S/C21H11NO5S/c23-13-6-5-12-8-15(21(25)27-18(12)9-13)19-22-16(10-28-19)14-7-11-3-1-2-4-17(11)26-20(14)24/h1-10,23H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096003 (7-Hydroxy-3-phenyl-chromen-2-one | 7-hydroxy-3-phe...) Show SMILES Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1 Show InChI InChI=1S/C15H10O3/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9,16H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096001 (7-Hydroxy-3-pyrazolo[1,5-a]pyridin-2-yl-chromen-2-...) Show SMILES Oc1ccc2cc(-c3cc4ccccn4n3)c(=O)oc2c1 Show InChI InChI=1S/C16H10N2O3/c19-12-5-4-10-7-13(16(20)21-15(10)9-12)14-8-11-3-1-2-6-18(11)17-14/h1-9,19H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095993 (7-Hydroxy-2-oxo-2H-chromene-3-carbothioic acid ami...) Show SMILES NC(=S)c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C10H7NO3S/c11-9(15)7-3-5-1-2-6(12)4-8(5)14-10(7)13/h1-4,12H,(H2,11,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096002 (3-(4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl)-7-hydroxy...) Show SMILES Oc1ccc2cc(-c3nc(cs3)-c3ccc4OCOc4c3)c(=O)oc2c1 Show InChI InChI=1S/C19H11NO5S/c21-12-3-1-11-5-13(19(22)25-16(11)7-12)18-20-14(8-26-18)10-2-4-15-17(6-10)24-9-23-15/h1-8,21H,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096007 (2-Oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl...) Show SMILES O=C(COC(=O)c1cc2ccccc2oc1=O)c1ccccc1 Show InChI InChI=1S/C18H12O5/c19-15(12-6-2-1-3-7-12)11-22-17(20)14-10-13-8-4-5-9-16(13)23-18(14)21/h1-10H,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096006 (7-Hydroxy-3-(2-methyl-thiazol-4-yl)-chromen-2-one ...) Show SMILES Cc1nc(cs1)-c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C13H9NO3S/c1-7-14-11(6-18-7)10-4-8-2-3-9(15)5-12(8)17-13(10)16/h2-6,15H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096000 (3-(2-Fluoro-4-hydroxy-phenyl)-acrylic acid anion) Show SMILES Oc1ccc(\C=C\C([O-])=O)c(F)c1 Show InChI InChI=1S/C9H7FO3/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1-5,11H,(H,12,13)/p-1/b4-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) Show SMILES Oc1ccc2cc(C#N)c(=O)oc2c1 Show InChI InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096005 (7-Hydroxy-3-(4-methyl-thiazol-2-yl)-chromen-2-one ...) Show SMILES Cc1csc(n1)-c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C13H9NO3S/c1-7-6-18-12(14-7)10-4-8-2-3-9(15)5-11(8)17-13(10)16/h2-6,15H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096008 (3-Acetyl-7-hydroxy-chromen-2-one | 3-acetyl-7-hydr...) Show SMILES CC(=O)c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C11H8O4/c1-6(12)9-4-7-2-3-8(13)5-10(7)15-11(9)14/h2-5,13H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095996 (3-(7-Hydroxy-2-oxo-2H-chromen-3-yl)-3-oxo-propioni...) Show SMILES CCOC(=O)CC(=O)c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C14H12O6/c1-2-19-13(17)7-11(16)10-5-8-3-4-9(15)6-12(8)20-14(10)18/h3-6,15H,2,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096009 (3-(4-Dimethylamino-benzylidene)-chroman-2,4-dione ...) Show SMILES CN(C)c1ccc(\C=C2/C(=O)Oc3ccccc3C2=O)cc1 Show InChI InChI=1S/C18H15NO3/c1-19(2)13-9-7-12(8-10-13)11-15-17(20)14-5-3-4-6-16(14)22-18(15)21/h3-11H,1-2H3/b15-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095995 (7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL E...) Show SMILES CCOC(=O)c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosinase (Homo sapiens (Human))	BDBM50139369 (2-Hydroxy-4-isopropyl-benzaldehyde | CHEMBL353354) Show SMILES CC(C)c1ccc(C=O)c(O)c1 Show InChI InChI=1S/C10H12O2/c1-7(2)8-3-4-9(6-11)10(12)5-8/h3-7,12H,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity of the compound was evaluated against the oxidation of L-3,4-dihydroxyphenylalanine (L-DOPA) catalyzed by mushroom tyrosinase				Bioorg Med Chem Lett 14: 681-3 (2004) BindingDB Entry DOI: 10.7270/Q27S7N6X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50004907 (2-Amino-3-(4-phosphonomethyl-phenyl)-propionic aci...) Show SMILES NC(Cc1ccc(CP(O)(O)=O)cc1)C(O)=O Show InChI InChI=1S/C10H14NO5P/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Waseda University Curated by ChEMBL					Assay Description Inhibitory activity against Syk C-terminal SH2 domain in in-silico screening				J Med Chem 44: 4737-40 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DPF
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50139368 (2-Hydroxy-4-methoxy-benzaldehyde | 2-hydroxy-4-met...) Show SMILES COc1ccc(C=O)c(O)c1 Show InChI InChI=1S/C8H8O3/c1-11-7-3-2-6(5-9)8(10)4-7/h2-5,10H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity of the compound was evaluated against the oxidation of L-3,4-dihydroxyphenylalanine (L-DOPA) catalyzed by mushroom tyrosinase				Bioorg Med Chem Lett 14: 681-3 (2004) BindingDB Entry DOI: 10.7270/Q27S7N6X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50107899 (2-[4-(4-{2-[(5-Carboxy-pentyl)-(3-cyclohexyl-propy...) Show SMILES OC(=O)CCCCCN(CCCC1CCCCC1)S(=O)(=O)\C=C\c1ccc(NC(=O)[C@H]2CC[C@@H](CC2)C(C(O)=O)C(O)=O)cc1 |wU:30.30,wD:33.37,(-.42,-5.98,;.35,-4.65,;-.42,-3.32,;1.89,-4.65,;2.66,-5.98,;4.2,-5.98,;4.97,-7.33,;6.51,-7.33,;7.28,-8.66,;6.51,-9.99,;4.97,-9.99,;4.2,-11.33,;2.66,-11.33,;1.87,-12.65,;.33,-12.65,;-.44,-11.33,;.35,-9.99,;1.87,-9.99,;8.82,-8.66,;8.8,-10.2,;8.8,-7.12,;10.36,-8.64,;11.11,-7.29,;12.65,-7.28,;13.39,-5.94,;14.95,-5.91,;15.73,-7.25,;17.27,-7.23,;18.04,-5.88,;17.24,-4.57,;19.58,-5.88,;20.32,-4.53,;21.86,-4.53,;22.65,-5.85,;21.89,-7.2,;20.35,-7.2,;24.19,-5.85,;24.96,-4.5,;26.5,-4.5,;24.17,-3.19,;24.97,-7.17,;26.51,-7.17,;24.2,-8.51,;14.98,-8.58,;13.42,-8.6,)| Show InChI InChI=1S/C33H48N2O9S/c36-29(37)11-5-2-6-21-35(22-7-10-24-8-3-1-4-9-24)45(43,44)23-20-25-12-18-28(19-13-25)34-31(38)27-16-14-26(15-17-27)30(32(39)40)33(41)42/h12-13,18-20,23-24,26-27,30H,1-11,14-17,21-22H2,(H,34,38)(H,36,37)(H,39,40)(H,41,42)/b23-20+/t26-,27-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Waseda University Curated by ChEMBL					Assay Description Inhibitory activity against Syk C-terminal SH2.				J Med Chem 44: 4737-40 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DPF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50107897 (2-[4-(4-{2-[(5-Carboxy-pentyl)-(3-cyclohexyl-propy...) Show SMILES OC(=O)CCCCCN(CCCC1CCCCC1)S(=O)(=O)\C=C\c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)C(C(O)=O)C(O)=O)cc1 |wU:33.37,30.30,(-.42,-5.98,;.35,-4.65,;-.42,-3.32,;1.89,-4.65,;2.66,-5.98,;4.2,-5.98,;4.97,-7.33,;6.51,-7.33,;7.28,-8.66,;6.51,-9.99,;4.97,-9.99,;4.2,-11.33,;2.66,-11.33,;1.87,-12.65,;.33,-12.65,;-.44,-11.33,;.35,-9.99,;1.87,-9.99,;8.82,-8.66,;8.8,-10.2,;8.8,-7.12,;10.36,-8.64,;11.11,-7.29,;12.65,-7.28,;13.39,-5.94,;14.95,-5.91,;15.73,-7.25,;17.27,-7.23,;18.04,-5.88,;17.24,-4.57,;19.58,-5.88,;20.35,-7.2,;21.89,-7.2,;22.65,-5.85,;21.86,-4.53,;20.32,-4.53,;24.19,-5.85,;24.96,-4.5,;26.5,-4.5,;24.17,-3.19,;24.97,-7.17,;26.51,-7.17,;24.2,-8.51,;14.98,-8.58,;13.42,-8.6,)| Show InChI InChI=1S/C33H48N2O9S/c36-29(37)11-5-2-6-21-35(22-7-10-24-8-3-1-4-9-24)45(43,44)23-20-25-12-18-28(19-13-25)34-31(38)27-16-14-26(15-17-27)30(32(39)40)33(41)42/h12-13,18-20,23-24,26-27,30H,1-11,14-17,21-22H2,(H,34,38)(H,36,37)(H,39,40)(H,41,42)/b23-20+/t26-,27+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Waseda University Curated by ChEMBL					Assay Description Inhibitory activity against Syk C-terminal SH2.				J Med Chem 44: 4737-40 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DPF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50107901 (2-[4-(4-{2-[(5-Carboxy-pentyl)-(3-cyclohexyl-propy...) Show SMILES OC(=O)CCCCCN(CCCC1CCCCC1)S(=O)(=O)\C=C\c1ccc(NC(=O)C2CCC(=CC2)C(C(O)=O)C(O)=O)cc1 |c:34| Show InChI InChI=1S/C33H46N2O9S/c36-29(37)11-5-2-6-21-35(22-7-10-24-8-3-1-4-9-24)45(43,44)23-20-25-12-18-28(19-13-25)34-31(38)27-16-14-26(15-17-27)30(32(39)40)33(41)42/h12-14,18-20,23-24,27,30H,1-11,15-17,21-22H2,(H,34,38)(H,36,37)(H,39,40)(H,41,42)/b23-20+	PDB MMDB NCI pathway 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+4	n/a	n/a	n/a	n/a	n/a	n/a
Waseda University Curated by ChEMBL					Assay Description Inhibitory activity against Syk C-terminal SH2.				J Med Chem 44: 4737-40 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DPF
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50139366 (4-Isopropyl-benzaldehyde | 4-isopropylbenzaldehyde...) Show SMILES CC(C)c1ccc(C=O)cc1 Show InChI InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity of the compound was evaluated against the oxidation of L-3,4-dihydroxyphenylalanine (L-DOPA) catalyzed by mushroom tyrosinase				Bioorg Med Chem Lett 14: 681-3 (2004) BindingDB Entry DOI: 10.7270/Q27S7N6X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50107900 (2-[4-(4-{2-[(5-Carboxy-pentyl)-(5-methyl-hexyl)-su...) Show SMILES CC(C)CCCCN(CCCCCC(O)=O)S(=O)(=O)\C=C\c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)C(C(O)=O)C(O)=O)cc1 |wU:31.34,28.27,(.65,-11.61,;2.19,-11.61,;2.96,-12.94,;2.96,-10.28,;4.5,-10.28,;5.27,-8.93,;6.81,-8.93,;7.58,-7.61,;6.81,-6.27,;5.27,-6.27,;4.5,-4.94,;2.96,-4.94,;2.19,-3.6,;.65,-3.6,;-.12,-4.94,;-.12,-2.28,;9.12,-7.61,;9.12,-9.15,;9.12,-6.07,;10.66,-7.58,;11.42,-6.23,;12.96,-6.22,;13.71,-4.89,;15.25,-4.88,;16.05,-6.2,;17.59,-6.17,;18.35,-4.84,;17.56,-3.51,;19.89,-4.82,;20.66,-6.16,;22.2,-6.14,;22.95,-4.81,;22.18,-3.48,;20.64,-3.48,;24.49,-4.79,;25.26,-3.46,;26.8,-3.44,;24.49,-2.13,;25.28,-6.13,;26.82,-6.13,;24.52,-7.48,;15.28,-7.54,;13.74,-7.55,)| Show InChI InChI=1S/C31H46N2O9S/c1-22(2)8-5-7-20-33(19-6-3-4-9-27(34)35)43(41,42)21-18-23-10-16-26(17-11-23)32-29(36)25-14-12-24(13-15-25)28(30(37)38)31(39)40/h10-11,16-18,21-22,24-25,28H,3-9,12-15,19-20H2,1-2H3,(H,32,36)(H,34,35)(H,37,38)(H,39,40)/b21-18+/t24-,25+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Waseda University Curated by ChEMBL					Assay Description Inhibitory activity against Syk C-terminal SH2.				J Med Chem 44: 4737-40 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DPF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50107902 (2-[4-(4-{2-[(5-Carboxy-pentyl)-(5-methyl-hexyl)-su...) Show SMILES CC(C)CCCCN(CCCCCC(O)=O)S(=O)(=O)\C=C\c1ccc(NC(=O)[C@H]2CC[C@@H](CC2)C(C(O)=O)C(O)=O)cc1 |wU:28.27,wD:31.34,(.65,-11.61,;2.19,-11.61,;2.96,-12.94,;2.96,-10.28,;4.5,-10.28,;5.27,-8.93,;6.81,-8.93,;7.58,-7.61,;6.81,-6.27,;5.27,-6.27,;4.5,-4.94,;2.96,-4.94,;2.19,-3.6,;.65,-3.6,;-.12,-4.94,;-.12,-2.28,;9.12,-7.61,;9.12,-9.15,;9.12,-6.07,;10.66,-7.58,;11.42,-6.23,;12.96,-6.22,;13.71,-4.89,;15.25,-4.88,;16.05,-6.2,;17.59,-6.17,;18.35,-4.84,;17.56,-3.51,;19.89,-4.82,;20.64,-3.48,;22.18,-3.48,;22.95,-4.81,;22.2,-6.14,;20.66,-6.16,;24.49,-4.79,;25.26,-3.46,;26.8,-3.44,;24.49,-2.13,;25.28,-6.13,;26.82,-6.13,;24.52,-7.48,;15.28,-7.54,;13.74,-7.55,)| Show InChI InChI=1S/C31H46N2O9S/c1-22(2)8-5-7-20-33(19-6-3-4-9-27(34)35)43(41,42)21-18-23-10-16-26(17-11-23)32-29(36)25-14-12-24(13-15-25)28(30(37)38)31(39)40/h10-11,16-18,21-22,24-25,28H,3-9,12-15,19-20H2,1-2H3,(H,32,36)(H,34,35)(H,37,38)(H,39,40)/b21-18+/t24-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Waseda University Curated by ChEMBL					Assay Description Inhibitory activity against Syk C-terminal SH2.				J Med Chem 44: 4737-40 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DPF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50107898 (2-[4-(4-{2-[(5-Carboxy-pentyl)-(5-methyl-hexyl)-su...) Show SMILES CC(C)CCCCN(CCCCCC(O)=O)S(=O)(=O)\C=C\c1ccc(NC(=O)C2CCC(=CC2)C(C(O)=O)C(O)=O)cc1 |c:31| Show InChI InChI=1S/C31H44N2O9S/c1-22(2)8-5-7-20-33(19-6-3-4-9-27(34)35)43(41,42)21-18-23-10-16-26(17-11-23)32-29(36)25-14-12-24(13-15-25)28(30(37)38)31(39)40/h10-12,16-18,21-22,25,28H,3-9,13-15,19-20H2,1-2H3,(H,32,36)(H,34,35)(H,37,38)(H,39,40)/b21-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Waseda University Curated by ChEMBL					Assay Description Inhibitory activity against Syk C-terminal SH2.				J Med Chem 44: 4737-40 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DPF
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50139370 (4-Methoxy-benzaldehyde | 4-methoxybenzaldehyde | C...) Show SMILES COc1ccc(C=O)cc1 Show InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity of the compound was evaluated against the oxidation of L-3,4-dihydroxyphenylalanine (L-DOPA) catalyzed by mushroom tyrosinase				Bioorg Med Chem Lett 14: 681-3 (2004) BindingDB Entry DOI: 10.7270/Q27S7N6X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50107895 (2-(4-{4-[2-(5-Carboxy-pentylsulfamoyl)-vinyl]-phen...) Show SMILES OC(=O)CCCCCNS(=O)(=O)\C=C\c1ccc(NC(=O)[C@H]2CCC(CC2)C(C(O)=O)C(O)=O)cc1 |wU:21.20,(-.12,-6.65,;.65,-5.3,;-.12,-3.99,;2.19,-5.3,;2.96,-6.65,;4.5,-6.65,;5.27,-7.99,;6.81,-7.99,;7.58,-9.31,;9.12,-9.31,;9.12,-7.77,;9.12,-10.85,;10.66,-9.3,;11.42,-7.96,;12.96,-7.94,;13.71,-6.59,;15.25,-6.59,;16.05,-7.9,;17.59,-7.89,;18.35,-6.56,;17.56,-5.23,;19.89,-6.54,;20.64,-5.2,;22.18,-5.2,;22.95,-6.52,;22.2,-7.86,;20.66,-7.87,;24.49,-6.51,;25.26,-5.18,;26.8,-5.17,;24.49,-3.85,;25.28,-7.84,;26.82,-7.84,;24.52,-9.19,;15.28,-9.25,;13.74,-9.25,)| Show InChI InChI=1S/C24H32N2O9S/c27-20(28)4-2-1-3-14-25-36(34,35)15-13-16-5-11-19(12-6-16)26-22(29)18-9-7-17(8-10-18)21(23(30)31)24(32)33/h5-6,11-13,15,17-18,21,25H,1-4,7-10,14H2,(H,26,29)(H,27,28)(H,30,31)(H,32,33)/b15-13+/t17?,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Waseda University Curated by ChEMBL					Assay Description Inhibitory activity against Syk C-terminal SH2.				J Med Chem 44: 4737-40 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DPF
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM60953 (BDBM50139371 | benzaldehyde) Show SMILES O=Cc1ccccc1 Show InChI InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	PubMed	n/a	n/a	8.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity of the compound was evaluated against the oxidation of L-3,4-dihydroxyphenylalanine (L-DOPA) catalyzed by mushroom tyrosinase				Bioorg Med Chem Lett 14: 681-3 (2004) BindingDB Entry DOI: 10.7270/Q27S7N6X
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50139367 (2-hydroxybenzaldehyde | CHEMBL108925 | Salicylalde...) Show SMILES Oc1ccccc1C=O Show InChI InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity of the compound was evaluated against the oxidation of L-3,4-dihydroxyphenylalanine (L-DOPA) catalyzed by mushroom tyrosinase				Bioorg Med Chem Lett 14: 681-3 (2004) BindingDB Entry DOI: 10.7270/Q27S7N6X
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095998 (CHEMBL345292 | Hexylglutathione | L-gamma-glutamyl...) Show SMILES CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50107903 (2-Cyclohexyl-malonic acid | CHEMBL142870) Show SMILES OC(=O)C(C1CCCCC1)C(O)=O Show InChI InChI=1S/C9H14O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h6-7H,1-5H2,(H,10,11)(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.90E+6	n/a	n/a	n/a	n/a	n/a	n/a
Waseda University Curated by ChEMBL					Assay Description Inhibitory activity against Syk C-terminal SH2.				J Med Chem 44: 4737-40 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DPF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50107894 (2-Cyclooct-4-enyl-malonic acid | CHEMBL357125) Show SMILES OC(=O)C(C1CCC\C=C/CC1)C(O)=O |c:8| Show InChI InChI=1S/C11H16O4/c12-10(13)9(11(14)15)8-6-4-2-1-3-5-7-8/h1-2,8-9H,3-7H2,(H,12,13)(H,14,15)/b2-1-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.70E+6	n/a	n/a	n/a	n/a	n/a	n/a
Waseda University Curated by ChEMBL					Assay Description Inhibitory activity against Syk C-terminal SH2.				J Med Chem 44: 4737-40 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DPF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50107896 (6-(2-Phenyl-ethenesulfonylamino)-hexanoic acid | C...) Show SMILES OC(=O)CCCCCNS(=O)(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C14H19NO4S/c16-14(17)9-5-2-6-11-15-20(18,19)12-10-13-7-3-1-4-8-13/h1,3-4,7-8,10,12,15H,2,5-6,9,11H2,(H,16,17)/b12-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Waseda University Curated by ChEMBL					Assay Description Inhibitory activity against Syk C-terminal SH2 (at 10 mM)				J Med Chem 44: 4737-40 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DPF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM14676 (2-phenylpropanedioic acid | CHEMBL78794 | Fragment...) Show SMILES OC(=O)C(C(O)=O)c1ccccc1 Show InChI InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.20E+7	n/a	n/a	n/a	n/a	n/a	n/a
Waseda University Curated by ChEMBL					Assay Description Inhibitory activity against Syk C-terminal SH2.				J Med Chem 44: 4737-40 (2001) BindingDB Entry DOI: 10.7270/Q2TX3DPF
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095999 (CHEMBL153339 | Hexane-1-thiol) Show SMILES CCCCCCS Show InChI InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.74E+7	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095998 (CHEMBL345292 | Hexylglutathione | L-gamma-glutamyl...) Show SMILES CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	2.50E+6	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Binding activity towards the active site of macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair