Compile Data Set for Download or QSAR

Found 260 hits with Last Name = 'takaya' and Initial = 'k'   

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
Beta-1,4-galactosyltransferase 1 (Homo sapiens (Human))	BDBM50370676 (CHEMBL607907) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H](COCCOCCOCCOCc3ccc4ccccc4c3)[C@H](O)[C@H](O)[C@@H]2O)OC([C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C32H44N2O20P2/c35-24-7-8-34(32(41)33-24)30-28(39)26(37)23(51-30)18-50-55(42,43)54-56(44,45)53-31-29(40)27(38)25(36)22(52-31)17-49-14-12-47-10-9-46-11-13-48-16-19-5-6-20-3-1-2-4-21(20)15-19/h1-8,15,22-23,25-31,36-40H,9-14,16-18H2,(H,42,43)(H,44,45)(H,33,35,41)/t22-,23+,25-,26+,27-,28+,29-,30?,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibitory constant against human galactosyltransferase using UDP-Gal				J Med Chem 48: 6054-65 (2005) Article DOI: 10.1021/jm0504297 BindingDB Entry DOI: 10.7270/Q2JW8FPX
					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
Beta-1,4-galactosyltransferase 1 (Homo sapiens (Human))	BDBM50370674 (UDP-GALACTOSE) Show SMILES OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)c2cc(=O)[nH]c(=O)[nH]2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H24N2O17P2/c18-2-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-3-6-9(21)11(23)13(31-6)4-1-7(19)17-15(25)16-4/h1,5-6,8-14,18,20-24H,2-3H2,(H,26,27)(H,28,29)(H2,16,17,19,25)/t5-,6-,8+,9-,10+,11-,12-,13+,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibitory constant against human recombinant Beta-1,4-galactosyltransferase I				J Med Chem 48: 6054-65 (2005) Article DOI: 10.1021/jm0504297 BindingDB Entry DOI: 10.7270/Q2JW8FPX
					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)
Beta-1,4-galactosyltransferase 1 (Homo sapiens (Human))	BDBM50370675 (CHEMBL607908) Show SMILES OC[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H](OCCOCCOCCOCc2ccc3ccccc3c2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C32H44N2O20P2/c35-16-22-25(37)27(39)29(49-14-13-47-10-9-46-11-12-48-17-19-5-6-20-3-1-2-4-21(20)15-19)31(52-22)53-56(44,45)54-55(42,43)50-18-23-26(38)28(40)30(51-23)34-8-7-24(36)33-32(34)41/h1-8,15,22-23,25-31,35,37-40H,9-14,16-18H2,(H,42,43)(H,44,45)(H,33,36,41)/t22-,23+,25-,26+,27-,28+,29-,30?,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibitory constant against human recombinant Beta-1,4-galactosyltransferase I				J Med Chem 48: 6054-65 (2005) Article DOI: 10.1021/jm0504297 BindingDB Entry DOI: 10.7270/Q2JW8FPX
					More data for this Ligand-Target Pair
Beta-1,4-galactosyltransferase 1 (Homo sapiens (Human))	BDBM50370678 (CHEMBL611116) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H](CNNC(=O)COCCOCCOCc3ccc4ccccc4c3)[C@H](O)[C@H](O)[C@@H]2O)OC([C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C32H44N4O20P2/c37-23-7-8-36(32(44)34-23)30-28(42)26(40)22(53-30)16-52-57(45,46)56-58(47,48)55-31-29(43)27(41)25(39)21(54-31)14-33-35-24(38)17-51-12-10-49-9-11-50-15-18-5-6-19-3-1-2-4-20(19)13-18/h1-8,13,21-22,25-31,33,39-43H,9-12,14-17H2,(H,35,38)(H,45,46)(H,47,48)(H,34,37,44)/t21-,22+,25-,26+,27-,28+,29-,30?,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibitory constant against human recombinant Beta-1,4-galactosyltransferase I				J Med Chem 48: 6054-65 (2005) Article DOI: 10.1021/jm0504297 BindingDB Entry DOI: 10.7270/Q2JW8FPX
					More data for this Ligand-Target Pair
Beta-1,4-galactosyltransferase 1 (Homo sapiens (Human))	BDBM50370677 (CHEMBL609634) Show SMILES Cc1ccc2ccc(COC(=O)COCCOCC(=O)NC[C@@H]3O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]4OC([C@H](O)[C@@H]4O)n4ccc(=O)[nH]c4=O)[C@@H](O)[C@@H](O)[C@H]3O)cc2c1 |r| Show InChI InChI=1S/C33H43N3O21P2/c1-17-2-4-19-5-3-18(11-20(19)10-17)13-52-25(39)16-51-9-8-50-15-24(38)34-12-21-26(40)28(42)30(44)32(55-21)56-59(48,49)57-58(46,47)53-14-22-27(41)29(43)31(54-22)36-7-6-23(37)35-33(36)45/h2-7,10-11,21-22,26-32,40-44H,8-9,12-16H2,1H3,(H,34,38)(H,46,47)(H,48,49)(H,35,37,45)/t21-,22+,26-,27+,28-,29+,30-,31?,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibitory constant against human recombinant Beta-1,4-galactosyltransferase I				J Med Chem 48: 6054-65 (2005) Article DOI: 10.1021/jm0504297 BindingDB Entry DOI: 10.7270/Q2JW8FPX
					More data for this Ligand-Target Pair
Beta-1,4-galactosyltransferase 1 (Homo sapiens (Human))	BDBM50173721 (CHEMBL196432 | Uridine-5'-diphosphogalactose deriv...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCOC1OC(CO)C(O)C(O)C1NC(C)=O Show InChI InChI=1S/C23H33N3O8S/c1-14(28)25-20-22(30)21(29)18(13-27)34-23(20)33-12-6-11-24-35(31,32)19-10-5-7-15-16(19)8-4-9-17(15)26(2)3/h4-5,7-10,18,20-24,27,29-30H,6,11-13H2,1-3H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.67E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibitory constant against human Beta-1,4-galactosyltransferase I using UDP-Gal (0-160 uM)				J Med Chem 48: 6054-65 (2005) Article DOI: 10.1021/jm0504297 BindingDB Entry DOI: 10.7270/Q2JW8FPX
					More data for this Ligand-Target Pair
Beta-1,4-galactosyltransferase 1 (Homo sapiens (Human))	BDBM50370679 (CHEMBL611112) Show SMILES COCCOCCOCCOC[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H38N2O20P2/c1-36-4-5-37-6-7-38-8-9-39-10-12-15(26)17(28)19(30)21(42-12)43-46(34,35)44-45(32,33)40-11-13-16(27)18(29)20(41-13)24-3-2-14(25)23-22(24)31/h2-3,12-13,15-21,26-30H,4-11H2,1H3,(H,32,33)(H,34,35)(H,23,25,31)/t12-,13+,15-,16+,17-,18+,19-,20?,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.49E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibitory constant against human recombinant Beta-1,4-galactosyltransferase I				J Med Chem 48: 6054-65 (2005) Article DOI: 10.1021/jm0504297 BindingDB Entry DOI: 10.7270/Q2JW8FPX
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50264847 (CHEMBL4096902) Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C#N)n1 Show InChI InChI=1S/C25H23N9OS2/c1-14-22(37-15(2)30-14)20-13-36-25(31-20)32-21-6-3-17(10-27-21)23(35)34-18-4-5-19(34)12-33(11-18)24-28-8-16(7-26)9-29-24/h3,6,8-10,13,18-19H,4-5,11-12H2,1-2H3,(H,27,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ...				Bioorg Med Chem 25: 2177-2190 (2017) Article DOI: 10.1016/j.bmc.2017.02.047 BindingDB Entry DOI: 10.7270/Q2N58PT9
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50256209 (CHEMBL4101768) Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3COCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H23F3N8O2S2/c1-13-21(40-14(2)32-13)19-12-39-24(33-19)34-20-4-3-15(5-29-20)22(37)36-17-8-35(9-18(36)11-38-10-17)23-30-6-16(7-31-23)25(26,27)28/h3-7,12,17-18H,8-11H2,1-2H3,(H,29,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ...				Bioorg Med Chem 25: 2177-2190 (2017) Article DOI: 10.1016/j.bmc.2017.02.047 BindingDB Entry DOI: 10.7270/Q2N58PT9
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50264846 (CHEMBL4066531) Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(Br)cn2)n1 Show InChI InChI=1S/C24H23BrN8OS2/c1-13-21(36-14(2)29-13)19-12-35-24(30-19)31-20-6-3-15(7-26-20)22(34)33-17-4-5-18(33)11-32(10-17)23-27-8-16(25)9-28-23/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,26,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ...				Bioorg Med Chem 25: 2177-2190 (2017) Article DOI: 10.1016/j.bmc.2017.02.047 BindingDB Entry DOI: 10.7270/Q2N58PT9
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50192809 (CHEMBL3941914) Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ...				Bioorg Med Chem 25: 2177-2190 (2017) Article DOI: 10.1016/j.bmc.2017.02.047 BindingDB Entry DOI: 10.7270/Q2N58PT9
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50192809 (CHEMBL3941914) Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation				Bioorg Med Chem Lett 26: 4936-4941 (2016) Article DOI: 10.1016/j.bmcl.2016.09.014 BindingDB Entry DOI: 10.7270/Q2154K06
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Mus musculus (Mouse))	BDBM118179 (US8653125, Ia-40) Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)[C@@H]1CC[C@@H](CC1)NC(=O)c1ccon1 |r,wU:16.21,13.14,(9.04,-4.47,;7.7,-3.7,;6.37,-4.47,;5.04,-3.7,;5.04,-2.16,;6.37,-1.39,;7.7,-2.16,;9.04,-1.39,;3.7,-1.39,;3.7,.15,;2.24,.62,;1.33,-.62,;2.24,-1.87,;,.15,;,1.69,;-1.33,2.46,;-2.67,1.69,;-2.67,.15,;-1.33,-.62,;-4,2.46,;-5.33,1.69,;-5.33,.15,;-6.67,2.46,;-8.13,1.98,;-9.04,3.23,;-8.13,4.47,;-6.67,4,)| Show InChI InChI=1S/C19H18Cl2N4O2/c20-14-6-3-12(9-15(14)21)17-10-22-18(24-17)11-1-4-13(5-2-11)23-19(26)16-7-8-27-25-16/h3,6-11,13H,1-2,4-5H2,(H,22,24)(H,23,26)/t11-,13+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	7.4	25
Shionogi Co., Ltd. US Patent					Assay Description cDNA sequence encoding mouse NPY Y5 receptor (Biochem. Biophys. Acta 1328: 83-89, 1997) was cloned in the expression vector (pME18S, Takebe et al. Mo...				US Patent US8653125 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31BN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50256228 (CHEMBL4099293) Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2CCN(CC2C(F)(F)F)c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C24H20F6N8OS2/c1-12-19(41-13(2)34-12)16-11-40-22(35-16)36-18-4-3-14(7-31-18)20(39)38-6-5-37(10-17(38)24(28,29)30)21-32-8-15(9-33-21)23(25,26)27/h3-4,7-9,11,17H,5-6,10H2,1-2H3,(H,31,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ...				Bioorg Med Chem 25: 2177-2190 (2017) Article DOI: 10.1016/j.bmc.2017.02.047 BindingDB Entry DOI: 10.7270/Q2N58PT9
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50192811 (CHEMBL3971502) Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(Cl)cn2)n1 Show InChI InChI=1S/C24H23ClN8OS2/c1-13-21(36-14(2)29-13)19-12-35-24(30-19)31-20-6-3-15(7-26-20)22(34)33-17-4-5-18(33)11-32(10-17)23-27-8-16(25)9-28-23/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,26,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation				Bioorg Med Chem Lett 26: 4936-4941 (2016) Article DOI: 10.1016/j.bmcl.2016.09.014 BindingDB Entry DOI: 10.7270/Q2154K06
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50192811 (CHEMBL3971502) Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(Cl)cn2)n1 Show InChI InChI=1S/C24H23ClN8OS2/c1-13-21(36-14(2)29-13)19-12-35-24(30-19)31-20-6-3-15(7-26-20)22(34)33-17-4-5-18(33)11-32(10-17)23-27-8-16(25)9-28-23/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,26,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ...				Bioorg Med Chem 25: 2177-2190 (2017) Article DOI: 10.1016/j.bmc.2017.02.047 BindingDB Entry DOI: 10.7270/Q2N58PT9
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50264858 (CHEMBL4077638) Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(F)cn2)n1 Show InChI InChI=1S/C24H23FN8OS2/c1-13-21(36-14(2)29-13)19-12-35-24(30-19)31-20-6-3-15(7-26-20)22(34)33-17-4-5-18(33)11-32(10-17)23-27-8-16(25)9-28-23/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,26,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ...				Bioorg Med Chem 25: 2177-2190 (2017) Article DOI: 10.1016/j.bmc.2017.02.047 BindingDB Entry DOI: 10.7270/Q2N58PT9
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50192807 (CHEMBL3984947) Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OCC(F)(F)F)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C23H23F3N6O2S2/c1-12-20(36-13(2)28-12)18-10-35-22(29-18)30-19-6-3-14(9-27-19)21(33)32-16-4-5-17(32)8-15(7-16)31-34-11-23(24,25)26/h3,6,9-10,16-17H,4-5,7-8,11H2,1-2H3,(H,27,29,30)/b31-15-/t16-,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation				Bioorg Med Chem Lett 26: 4936-4941 (2016) Article DOI: 10.1016/j.bmcl.2016.09.014 BindingDB Entry DOI: 10.7270/Q2154K06
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50264859 (CHEMBL4078117) Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)S(C)(=O)=O)n1 Show InChI InChI=1S/C25H26N8O3S3/c1-14-22(38-15(2)29-14)20-13-37-25(30-20)31-21-7-4-16(8-26-21)23(34)33-17-5-6-18(33)12-32(11-17)24-27-9-19(10-28-24)39(3,35)36/h4,7-10,13,17-18H,5-6,11-12H2,1-3H3,(H,26,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ...				Bioorg Med Chem 25: 2177-2190 (2017) Article DOI: 10.1016/j.bmc.2017.02.047 BindingDB Entry DOI: 10.7270/Q2N58PT9
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50192809 (CHEMBL3941914) Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 assessed as inhibition of hypotonicity-induced activation				Bioorg Med Chem Lett 26: 4936-4941 (2016) Article DOI: 10.1016/j.bmcl.2016.09.014 BindingDB Entry DOI: 10.7270/Q2154K06
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50192809 (CHEMBL3941914) Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of hypotonicity-induced activation pretreated for 5 mi...				Bioorg Med Chem 25: 2177-2190 (2017) Article DOI: 10.1016/j.bmc.2017.02.047 BindingDB Entry DOI: 10.7270/Q2N58PT9
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Mus musculus (Mouse))	BDBM118190 (US8653125, Ic-16) Show SMILES CC(C)n1c2ccc(NC(=O)[C@@H]3CC[C@@H](CC3)Oc3cc(ccn3)C(F)(F)F)cc2oc1=O |r,wU:14.17,11.10,(6.26,-3.84,;7.35,-2.75,;8.83,-3.15,;6.95,-1.26,;5.48,-.78,;4.15,-1.55,;2.82,-.78,;2.82,.76,;1.48,1.53,;.15,.76,;.15,-.78,;-1.18,1.53,;-1.18,3.07,;-2.52,3.84,;-3.85,3.07,;-3.85,1.53,;-2.52,.76,;-5.19,3.84,;-6.52,3.07,;-6.52,1.53,;-7.85,.76,;-9.19,1.53,;-9.19,3.07,;-7.85,3.84,;-7.85,-.78,;-7.85,-2.32,;-9.39,-.78,;-6.31,-.78,;4.15,1.53,;5.48,.76,;6.95,1.23,;7.85,-.01,;9.39,-.01,)| Show InChI InChI=1S/C23H24F3N3O4/c1-13(2)29-18-8-5-16(12-19(18)33-22(29)31)28-21(30)14-3-6-17(7-4-14)32-20-11-15(9-10-27-20)23(24,25)26/h5,8-14,17H,3-4,6-7H2,1-2H3,(H,28,30)/t14-,17+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	7.4	25
Shionogi Co., Ltd. US Patent					Assay Description cDNA sequence encoding mouse NPY Y5 receptor (Biochem. Biophys. Acta 1328: 83-89, 1997) was cloned in the expression vector (pME18S, Takebe et al. Mo...				US Patent US8653125 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31BN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50264845 (CHEMBL4095552) Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncccn2)n1 Show InChI InChI=1S/C24H24N8OS2/c1-14-21(35-15(2)28-14)19-13-34-24(29-19)30-20-7-4-16(10-27-20)22(33)32-17-5-6-18(32)12-31(11-17)23-25-8-3-9-26-23/h3-4,7-10,13,17-18H,5-6,11-12H2,1-2H3,(H,27,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ...				Bioorg Med Chem 25: 2177-2190 (2017) Article DOI: 10.1016/j.bmc.2017.02.047 BindingDB Entry DOI: 10.7270/Q2N58PT9
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Mus musculus (Mouse))	BDBM118188 (US8653125, Ic-13) Show SMILES CC(C)n1c2ccc(NC(=O)[C@@H]3CC[C@@H](CC3)Oc3cc(Cl)ccc3C#N)cc2oc1=O |r,wU:14.17,11.10,(6.15,-5.38,;7.24,-4.29,;8.73,-4.69,;6.84,-2.8,;5.38,-2.32,;4.05,-3.09,;2.71,-2.32,;2.71,-.78,;1.38,-.01,;.05,-.78,;.05,-2.32,;-1.29,-.01,;-1.29,1.53,;-2.62,2.3,;-3.96,1.53,;-3.96,-.01,;-2.62,-.78,;-5.29,2.3,;-6.62,1.53,;-6.62,-.01,;-7.96,-.78,;-7.96,-2.32,;-9.29,-.01,;-9.29,1.53,;-7.96,2.3,;-7.96,3.84,;-7.96,5.38,;4.05,-.01,;5.38,-.78,;6.84,-.31,;7.75,-1.55,;9.29,-1.55,)| Show InChI InChI=1S/C24H24ClN3O4/c1-14(2)28-20-10-7-18(12-22(20)32-24(28)30)27-23(29)15-4-8-19(9-5-15)31-21-11-17(25)6-3-16(21)13-26/h3,6-7,10-12,14-15,19H,4-5,8-9H2,1-2H3,(H,27,29)/t15-,19+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	7.4	25
Shionogi Co., Ltd. US Patent					Assay Description cDNA sequence encoding mouse NPY Y5 receptor (Biochem. Biophys. Acta 1328: 83-89, 1997) was cloned in the expression vector (pME18S, Takebe et al. Mo...				US Patent US8653125 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31BN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50192804 (CHEMBL3933401) Show SMILES COC(=O)N1CCN(C(C1)C(F)(F)F)C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 Show InChI InChI=1S/C21H21F3N6O3S2/c1-11-17(35-12(2)26-11)14-10-34-19(27-14)28-16-5-4-13(8-25-16)18(31)30-7-6-29(20(32)33-3)9-15(30)21(22,23)24/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation				Bioorg Med Chem Lett 26: 4936-4941 (2016) Article DOI: 10.1016/j.bmcl.2016.09.014 BindingDB Entry DOI: 10.7270/Q2154K06
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Mus musculus (Mouse))	BDBM118192 (US8653125, Id-8) Show SMILES Fc1ccccc1-n1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2c3ccccc3OS2(=O)=O)n1 |r,wU:17.21,14.14,(6.68,-.13,;7.45,-1.46,;8.99,-1.46,;9.76,-2.8,;8.99,-4.13,;7.45,-4.13,;6.68,-2.8,;5.14,-2.8,;4.23,-4.04,;2.77,-3.57,;2.77,-2.03,;1.44,-1.26,;.1,-2.03,;.1,-3.57,;-1.23,-1.26,;-1.23,.28,;-2.56,1.05,;-3.9,.28,;-3.9,-1.26,;-2.56,-2.03,;-5.23,1.05,;-6.7,.58,;-7.32,-.83,;-8.85,-.99,;-9.76,.25,;-9.13,1.66,;-7.6,1.82,;-6.7,3.07,;-5.23,2.59,;-5.23,4.13,;-3.69,2.59,;4.23,-1.55,)| Show InChI InChI=1S/C22H21FN4O4S/c23-17-5-1-2-6-18(17)26-14-13-21(25-26)24-22(28)15-9-11-16(12-10-15)27-19-7-3-4-8-20(19)31-32(27,29)30/h1-8,13-16H,9-12H2,(H,24,25,28)/t15-,16+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	7.4	25
Shionogi Co., Ltd. US Patent					Assay Description cDNA sequence encoding mouse NPY Y5 receptor (Biochem. Biophys. Acta 1328: 83-89, 1997) was cloned in the expression vector (pME18S, Takebe et al. Mo...				US Patent US8653125 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31BN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50256212 (CHEMBL4060956) Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1)c1ncc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C24H23F3N8OS2/c1-13-11-34(22-29-9-17(10-30-22)24(25,26)27)6-7-35(13)21(36)16-4-5-19(28-8-16)33-23-32-18(12-37-23)20-14(2)31-15(3)38-20/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,28,32,33)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ...				Bioorg Med Chem 25: 2177-2190 (2017) Article DOI: 10.1016/j.bmc.2017.02.047 BindingDB Entry DOI: 10.7270/Q2N58PT9
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Mus musculus (Mouse))	BDBM118178 (US8653125, Ia-35) Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)[C@@H]1CC[C@@H](CC1)NC(=O)c1ccon1 |r,wU:18.23,15.16,(.52,-1.78,;.52,-.24,;1.85,.53,;3.19,-.24,;3.19,-1.78,;4.52,-2.55,;5.85,-1.78,;5.85,-.24,;4.52,.53,;7.19,-2.55,;7.19,-4.09,;8.52,-4.86,;9.85,-4.09,;9.85,-2.55,;8.52,-1.78,;-.82,.53,;-.82,2.07,;-2.15,2.84,;-3.48,2.07,;-3.48,.53,;-2.15,-.24,;-4.82,2.84,;-6.15,2.07,;-6.15,.53,;-7.48,2.84,;-8.95,2.37,;-9.85,3.61,;-8.95,4.86,;-7.48,4.38,)| Show InChI InChI=1S/C23H23N3O3/c27-22(24-19-10-6-17(7-11-19)16-4-2-1-3-5-16)18-8-12-20(13-9-18)25-23(28)21-14-15-29-26-21/h1-7,10-11,14-15,18,20H,8-9,12-13H2,(H,24,27)(H,25,28)/t18-,20+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.650	n/a	n/a	n/a	n/a	7.4	25
Shionogi Co., Ltd. US Patent					Assay Description cDNA sequence encoding mouse NPY Y5 receptor (Biochem. Biophys. Acta 1328: 83-89, 1997) was cloned in the expression vector (pME18S, Takebe et al. Mo...				US Patent US8653125 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31BN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50264848 (CHEMBL4062935) Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(CO)cn2)n1 Show InChI InChI=1S/C25H26N8O2S2/c1-14-22(37-15(2)29-14)20-13-36-25(30-20)31-21-6-3-17(9-26-21)23(35)33-18-4-5-19(33)11-32(10-18)24-27-7-16(12-34)8-28-24/h3,6-9,13,18-19,34H,4-5,10-12H2,1-2H3,(H,26,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ...				Bioorg Med Chem 25: 2177-2190 (2017) Article DOI: 10.1016/j.bmc.2017.02.047 BindingDB Entry DOI: 10.7270/Q2N58PT9
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Mus musculus (Mouse))	BDBM118189 (US8653125, Ic-14) Show SMILES CC(C)n1c2ccc(NC(=O)[C@@H]3CC[C@@H](CC3)Oc3cc(ccc3C#N)C(F)(F)F)cc2oc1=O |r,wU:14.17,11.10,(6.26,-5.38,;7.35,-4.29,;8.83,-4.69,;6.95,-2.8,;5.48,-2.32,;4.15,-3.09,;2.82,-2.32,;2.82,-.78,;1.48,-.01,;.15,-.78,;.15,-2.32,;-1.18,-.01,;-1.18,1.53,;-2.52,2.3,;-3.85,1.53,;-3.85,-.01,;-2.52,-.78,;-5.19,2.3,;-6.52,1.53,;-6.52,-.01,;-7.85,-.78,;-9.19,-.01,;-9.19,1.53,;-7.85,2.3,;-7.85,3.84,;-7.85,5.38,;-7.85,-2.32,;-7.85,-3.86,;-9.39,-2.32,;-6.31,-2.32,;4.15,-.01,;5.48,-.78,;6.95,-.31,;7.85,-1.55,;9.39,-1.55,)| Show InChI InChI=1S/C25H24F3N3O4/c1-14(2)31-20-10-7-18(12-22(20)35-24(31)33)30-23(32)15-4-8-19(9-5-15)34-21-11-17(25(26,27)28)6-3-16(21)13-29/h3,6-7,10-12,14-15,19H,4-5,8-9H2,1-2H3,(H,30,32)/t15-,19+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.680	n/a	n/a	n/a	n/a	7.4	25
Shionogi Co., Ltd. US Patent					Assay Description cDNA sequence encoding mouse NPY Y5 receptor (Biochem. Biophys. Acta 1328: 83-89, 1997) was cloned in the expression vector (pME18S, Takebe et al. Mo...				US Patent US8653125 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31BN
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Mus musculus (Mouse))	BDBM118191 (US8653125, Ic-17) Show SMILES Fc1ccccc1-n1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)Oc2cc(Cl)ccn2)n1 |r,wU:17.21,14.14,(6.42,1.41,;7.19,.08,;8.73,.08,;9.5,-1.26,;8.73,-2.59,;7.19,-2.59,;6.42,-1.26,;4.88,-1.26,;3.97,-2.5,;2.51,-2.03,;2.51,-.49,;1.17,.28,;-.16,-.49,;-.16,-2.03,;-1.49,.28,;-1.49,1.82,;-2.83,2.59,;-4.16,1.82,;-4.16,.28,;-2.83,-.49,;-5.5,2.59,;-6.83,1.82,;-6.83,.28,;-8.16,-.49,;-8.16,-2.03,;-9.5,.28,;-9.5,1.82,;-8.16,2.59,;3.97,-.01,)| Show InChI InChI=1S/C21H20ClFN4O2/c22-15-9-11-24-20(13-15)29-16-7-5-14(6-8-16)21(28)25-19-10-12-27(26-19)18-4-2-1-3-17(18)23/h1-4,9-14,16H,5-8H2,(H,25,26,28)/t14-,16+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.690	n/a	n/a	n/a	n/a	7.4	25
Shionogi Co., Ltd. US Patent					Assay Description cDNA sequence encoding mouse NPY Y5 receptor (Biochem. Biophys. Acta 1328: 83-89, 1997) was cloned in the expression vector (pME18S, Takebe et al. Mo...				US Patent US8653125 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31BN
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Mus musculus (Mouse))	BDBM118176 (US8653125, Ia-30) Show SMILES Fc1ccccc1-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)NC(=O)c2ccon2)cc1 |r,wU:17.21,14.14,(8.52,-.24,;8.52,-1.78,;9.85,-2.55,;9.85,-4.09,;8.52,-4.86,;7.19,-4.09,;7.19,-2.55,;5.85,-1.78,;4.52,-2.55,;3.19,-1.78,;3.19,-.24,;1.85,.53,;.52,-.24,;.52,-1.78,;-.82,.53,;-.82,2.07,;-2.15,2.84,;-3.48,2.07,;-3.48,.53,;-2.15,-.24,;-4.82,2.84,;-6.15,2.07,;-6.15,.53,;-7.48,2.84,;-8.95,2.37,;-9.85,3.61,;-8.95,4.86,;-7.48,4.38,;4.52,.53,;5.85,-.24,)| Show InChI InChI=1S/C23H22FN3O3/c24-20-4-2-1-3-19(20)15-5-9-17(10-6-15)25-22(28)16-7-11-18(12-8-16)26-23(29)21-13-14-30-27-21/h1-6,9-10,13-14,16,18H,7-8,11-12H2,(H,25,28)(H,26,29)/t16-,18+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.710	n/a	n/a	n/a	n/a	7.4	25
Shionogi Co., Ltd. US Patent					Assay Description cDNA sequence encoding mouse NPY Y5 receptor (Biochem. Biophys. Acta 1328: 83-89, 1997) was cloned in the expression vector (pME18S, Takebe et al. Mo...				US Patent US8653125 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31BN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50264857 (CHEMBL4090714) Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2cnc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H23F3N8OS2/c1-13-22(39-14(2)32-13)18-12-38-24(33-18)34-20-6-3-15(7-30-20)23(37)36-16-4-5-17(36)11-35(10-16)21-9-29-19(8-31-21)25(26,27)28/h3,6-9,12,16-17H,4-5,10-11H2,1-2H3,(H,30,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of hypotonicity-induced activation pretreated for 5 mi...				Bioorg Med Chem 25: 2177-2190 (2017) Article DOI: 10.1016/j.bmc.2017.02.047 BindingDB Entry DOI: 10.7270/Q2N58PT9
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50264856 (CHEMBL4084992) Show SMILES Cc1nn(C)cc1-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H24F3N9OS/c1-14-19(12-35(2)34-14)20-13-39-24(32-20)33-21-6-3-15(7-29-21)22(38)37-17-4-5-18(37)11-36(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12-13,17-18H,4-5,10-11H2,1-2H3,(H,29,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ...				Bioorg Med Chem 25: 2177-2190 (2017) Article DOI: 10.1016/j.bmc.2017.02.047 BindingDB Entry DOI: 10.7270/Q2N58PT9
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50608178 (CHEMBL5268044) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(C)C)NC(=O)CCc1cn(CCN2CCCc3cc(\C=C\C4=C(Br)C(\C=C\c5cc6CCCN7CCCc(c5)c67)=[O+][B-](F)(O4)C(F)(F)F)ccc23)nn1)C1CCCCC1)[C@H](C)CC)C1CCCCC1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCc1ccccc1)C(N)=O |r,c:112,133| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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