Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'morita' and Initial = 'h'   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50225899 ((+/-)-4-[(N-(2-methoxy-5-trifluoromethoxybenzyl)am...) Show SMILES COc1ccc(OC(F)(F)F)cc1CN[C@H]1[C@@H]2COC[C@@H]2N[C@H]1c1ccccc1 Show InChI InChI=1S/C21H23F3N2O3/c1-27-18-8-7-15(29-21(22,23)24)9-14(18)10-25-20-16-11-28-12-17(16)26-19(20)13-5-3-2-4-6-13/h2-9,16-17,19-20,25-26H,10-12H2,1H3/t16-,17+,19+,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]substance P from NK1 human receptor expressed in IM9 cells				Bioorg Med Chem Lett 17: 6887-90 (2007) Article DOI: 10.1016/j.bmcl.2007.10.010 BindingDB Entry DOI: 10.7270/Q2GQ6XGX
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50000041 ((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...) Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]substance P from NK1 human receptor expressed in IM9 cells				Bioorg Med Chem Lett 17: 6887-90 (2007) Article DOI: 10.1016/j.bmcl.2007.10.010 BindingDB Entry DOI: 10.7270/Q2GQ6XGX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50225898 ((2-Methoxy-benzyl)-((2S,3S,3aR,6aS)-2-phenyl-octah...) Show SMILES COc1ccccc1CN[C@H]1[C@@H]2CCC[C@@H]2N[C@H]1c1ccccc1 Show InChI InChI=1S/C21H26N2O/c1-24-19-13-6-5-10-16(19)14-22-21-17-11-7-12-18(17)23-20(21)15-8-3-2-4-9-15/h2-6,8-10,13,17-18,20-23H,7,11-12,14H2,1H3/t17-,18+,20+,21+/m1/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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]substance P from NK1 human receptor expressed in IM9 cells				Bioorg Med Chem Lett 17: 6887-90 (2007) Article DOI: 10.1016/j.bmcl.2007.10.010 BindingDB Entry DOI: 10.7270/Q2GQ6XGX
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50020299 ((R-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-7-phenyl-h...) Show SMILES O[C@@H](CCCCc1ccccc1)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C25H36O5/c26-20(13-9-8-12-19-10-4-3-5-11-19)16-17-22-21(23(27)18-24(22)28)14-6-1-2-7-15-25(29)30/h1,3-6,10-11,16-17,20-24,26-28H,2,7-9,12-15,18H2,(H,29,30)/b6-1-,17-16+/t20-,21+,22?,23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50035622 ((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Bos taurus (bovine))	BDBM50199522 ((+)-huperzine A | (+-)-HA | (-)-1-Amino-13-ethylid...) Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(C)=C2 |r,c:18,THB:1:2:14.15.17:5.11.4| Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of bovine acetylcholinesterase				Bioorg Med Chem 15: 7803-8 (2007) Article DOI: 10.1016/j.bmc.2007.08.043 BindingDB Entry DOI: 10.7270/Q2F190JK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50405735 (CHEMBL2114230) Show SMILES O[C@H](CCCCc1ccccc1)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C25H36O5/c26-20(13-9-8-12-19-10-4-3-5-11-19)16-17-22-21(23(27)18-24(22)28)14-6-1-2-7-15-25(29)30/h1,3-6,10-11,16-17,20-24,26-28H,2,7-9,12-15,18H2,(H,29,30)/b6-1-,17-16+/t20-,21-,22?,23+,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (BOVINE)	BDBM50035622 ((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes...				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (BOVINE)	BDBM50020299 ((R-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-7-phenyl-h...) Show SMILES O[C@@H](CCCCc1ccccc1)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C25H36O5/c26-20(13-9-8-12-19-10-4-3-5-11-19)16-17-22-21(23(27)18-24(22)28)14-6-1-2-7-15-25(29)30/h1,3-6,10-11,16-17,20-24,26-28H,2,7-9,12-15,18H2,(H,29,30)/b6-1-,17-16+/t20-,21+,22?,23-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes (BCLM)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50020302 ((S-isomer)7-{2-[5-(4-Azido-phenyl)-3-hydroxy-pent-...) Show SMILES O[C@@H](CCc1ccc(cc1)N=[N+]=[N-])\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C23H31N3O5/c24-26-25-17-10-7-16(8-11-17)9-12-18(27)13-14-20-19(21(28)15-22(20)29)5-3-1-2-4-6-23(30)31/h1,3,7-8,10-11,13-14,18-22,27-29H,2,4-6,9,12,15H2,(H,30,31)/b3-1-,14-13+/t18-,19+,20+,21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50020303 ((R-isomer)7-{2-[5-(4-Azido-3-iodo-phenyl)-3-hydrox...) Show SMILES O[C@@H](CCc1ccc(N=[N+]=[N-])c(I)c1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C23H30IN3O5/c24-19-13-15(8-12-20(19)26-27-25)7-9-16(28)10-11-18-17(21(29)14-22(18)30)5-3-1-2-4-6-23(31)32/h1,3,8,10-13,16-18,21-22,28-30H,2,4-7,9,14H2,(H,31,32)/b3-1-,11-10+/t16-,17+,18+,21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50308527 (10-methoxy-N(1)-methylburnamine-17-O-veratrate | C...) Show SMILES COC(=O)[C@]1(COC(=O)c2ccc(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r| Show InChI InChI=1S/C32H36N2O8/c1-7-18-16-34-26-14-21(18)30(29(36)40-6,17-41-28(35)19-8-11-24(38-4)25(12-19)39-5)31-15-27(34)42-32(26,31)33(2)23-10-9-20(37-3)13-22(23)31/h7-13,21,26-27H,14-17H2,1-6H3/b18-7-/t21-,26-,27-,30-,31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...				Bioorg Med Chem 18: 2152-8 (2010) Article DOI: 10.1016/j.bmc.2010.01.077 BindingDB Entry DOI: 10.7270/Q2HD7VSQ
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (BOVINE)	BDBM50405735 (CHEMBL2114230) Show SMILES O[C@H](CCCCc1ccccc1)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C25H36O5/c26-20(13-9-8-12-19-10-4-3-5-11-19)16-17-22-21(23(27)18-24(22)28)14-6-1-2-7-15-25(29)30/h1,3-6,10-11,16-17,20-24,26-28H,2,7-9,12-15,18H2,(H,29,30)/b6-1-,17-16+/t20-,21-,22?,23+,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes (BCLM)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Tubulin beta chain [1-43] (Leishmania donovani)	BDBM50012278 ((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...) Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48| Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50308529 (CHEMBL589220 | Methyl (14E)-19-[(benzoyloxy)methyl...) Show SMILES COC(=O)[C@]1(COC(=O)c2ccccc2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r| Show InChI InChI=1S/C30H32N2O6/c1-5-18-16-32-24-14-21(18)28(27(34)36-4,17-37-26(33)19-9-7-6-8-10-19)29-15-25(32)38-30(24,29)31(2)23-12-11-20(35-3)13-22(23)29/h5-13,21,24-25H,14-17H2,1-4H3/b18-5-/t21-,24-,25-,28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...				Bioorg Med Chem 18: 2152-8 (2010) Article DOI: 10.1016/j.bmc.2010.01.077 BindingDB Entry DOI: 10.7270/Q2HD7VSQ
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50308533 (CHEMBL589254 | Methyl (14E)-14-ethylidene-6-methox...) Show SMILES COC(=O)[C@]1(COC(=O)\C=C\c2ccccc2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r| Show InChI InChI=1S/C32H34N2O6/c1-5-21-18-34-26-16-23(21)30(29(36)38-4,19-39-28(35)14-11-20-9-7-6-8-10-20)31-17-27(34)40-32(26,31)33(2)25-13-12-22(37-3)15-24(25)31/h5-15,23,26-27H,16-19H2,1-4H3/b14-11+,21-5-/t23-,26-,27-,30-,31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...				Bioorg Med Chem 18: 2152-8 (2010) Article DOI: 10.1016/j.bmc.2010.01.077 BindingDB Entry DOI: 10.7270/Q2HD7VSQ
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50483304 (11-Epi-Tubulysin D) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N[C@H](C[C@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C37H55N5O7S/c1-8-23(4)32(41-34(45)30-16-12-13-17-42(30)7)35(46)39-28(22(2)3)20-31(49-25(6)43)36-40-29(21-50-36)33(44)38-27(18-24(5)37(47)48)19-26-14-10-9-11-15-26/h9-11,14-15,21-24,27-28,30-32H,8,12-13,16-20H2,1-7H3,(H,38,44)(H,39,46)(H,41,45)(H,47,48)/t23-,24-,27+,28+,30+,31-,32-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co Ltd Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization by microtubule assembly assay				Bioorg Med Chem Lett 21: 431-4 (2011) Article DOI: 10.1016/j.bmcl.2010.10.118 BindingDB Entry DOI: 10.7270/Q21J9DMW
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50012278 ((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...) Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48| Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co Ltd Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization by microtubule assembly assay				Bioorg Med Chem Lett 21: 431-4 (2011) Article DOI: 10.1016/j.bmcl.2010.10.118 BindingDB Entry DOI: 10.7270/Q21J9DMW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM50483306 (CHEBI:80036 | Tubulysin D) Show SMILES [H][C@](NC(=O)[C@@]1([H])CCCCN1C)([C@@H](C)CC)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C43H65N5O9S/c1-10-28(6)38(46-40(52)34-18-14-15-19-47(34)9)42(53)48(25-56-37(50)20-26(2)3)35(27(4)5)23-36(57-30(8)49)41-45-33(24-58-41)39(51)44-32(21-29(7)43(54)55)22-31-16-12-11-13-17-31/h11-13,16-17,24,26-29,32,34-36,38H,10,14-15,18-23,25H2,1-9H3,(H,44,51)(H,46,52)(H,54,55)/t28-,29-,32+,34+,35+,36+,38-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co Ltd Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization by microtubule assembly assay				Bioorg Med Chem Lett 21: 431-4 (2011) Article DOI: 10.1016/j.bmcl.2010.10.118 BindingDB Entry DOI: 10.7270/Q21J9DMW
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50483305 (13-Epi-Tubulysin D) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N[C@@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C37H55N5O7S/c1-8-23(4)32(41-34(45)30-16-12-13-17-42(30)7)35(46)39-28(22(2)3)20-31(49-25(6)43)36-40-29(21-50-36)33(44)38-27(18-24(5)37(47)48)19-26-14-10-9-11-15-26/h9-11,14-15,21-24,27-28,30-32H,8,12-13,16-20H2,1-7H3,(H,38,44)(H,39,46)(H,41,45)(H,47,48)/t23-,24-,27+,28-,30+,31+,32-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co Ltd Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization by microtubule assembly assay				Bioorg Med Chem Lett 21: 431-4 (2011) Article DOI: 10.1016/j.bmcl.2010.10.118 BindingDB Entry DOI: 10.7270/Q21J9DMW
					More data for this Ligand-Target Pair
Tubulin beta chain [1-43] (Leishmania donovani)	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (BOVINE)	BDBM50020301 ((R-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-7-phenyl-h...) Show SMILES COC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)C1\C=C\[C@@H](O)CCCCc1ccccc1 Show InChI InChI=1S/C26H38O5/c1-31-26(30)16-8-3-2-7-15-22-23(25(29)19-24(22)28)18-17-21(27)14-10-9-13-20-11-5-4-6-12-20/h2,4-7,11-12,17-18,21-25,27-29H,3,8-10,13-16,19H2,1H3/b7-2-,18-17+/t21-,22+,23?,24-,25+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes (BCLM)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50308528 (Alstiphyllanine D | CHEMBL540945) Show SMILES COC(=O)[C@]1(COC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r| Show InChI InChI=1S/C33H38N2O9/c1-8-18-16-35-26-14-21(18)31(30(37)42-7,17-43-29(36)19-11-24(39-4)28(41-6)25(12-19)40-5)32-15-27(35)44-33(26,32)34(2)23-10-9-20(38-3)13-22(23)32/h8-13,21,26-27H,14-17H2,1-7H3/b18-8-/t21-,26-,27-,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...				Bioorg Med Chem 18: 2152-8 (2010) Article DOI: 10.1016/j.bmc.2010.01.077 BindingDB Entry DOI: 10.7270/Q2HD7VSQ
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM50308532 ((14E)-14-ethylidene-6-methoxy-19-(methoxycarbonyl)...) Show SMILES COC(=O)[C@]1(COC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C[C@H]3[C@]45O[C@@H](C[C@]14c1cc(OC)ccc1N5C)[N+]3([O-])C\C2=C\C |r| Show InChI InChI=1S/C33H38N2O10/c1-8-18-16-35(38)26-14-21(18)31(30(37)43-7,17-44-29(36)19-11-24(40-4)28(42-6)25(12-19)41-5)32-15-27(35)45-33(26,32)34(2)23-10-9-20(39-3)13-22(23)32/h8-13,21,26-27H,14-17H2,1-7H3/b18-8-/t21-,26-,27-,31-,32-,33-,35?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...				Bioorg Med Chem 18: 2152-8 (2010) Article DOI: 10.1016/j.bmc.2010.01.077 BindingDB Entry DOI: 10.7270/Q2HD7VSQ
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM50308527 (10-methoxy-N(1)-methylburnamine-17-O-veratrate | C...) Show SMILES COC(=O)[C@]1(COC(=O)c2ccc(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r| Show InChI InChI=1S/C32H36N2O8/c1-7-18-16-34-26-14-21(18)30(29(36)40-6,17-41-28(35)19-8-11-24(38-4)25(12-19)39-5)31-15-27(34)42-32(26,31)33(2)23-10-9-20(37-3)13-22(23)31/h7-13,21,26-27H,14-17H2,1-6H3/b18-7-/t21-,26-,27-,30-,31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...				Bioorg Med Chem 18: 2152-8 (2010) Article DOI: 10.1016/j.bmc.2010.01.077 BindingDB Entry DOI: 10.7270/Q2HD7VSQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50201171 ((1S,9R)-1-amino-13-[2-hydroxy-eth-(E)-ylidene]-11-...) Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@](N)(C1)\C2=C\CO |t:1,THB:16:15:11.5.4:2.14.1| Show InChI InChI=1S/C15H18N2O2/c1-9-6-10-7-13-12(2-3-14(19)17-13)15(16,8-9)11(10)4-5-18/h2-4,6,10,18H,5,7-8,16H2,1H3,(H,17,19)/b11-4+/t10-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase				Bioorg Med Chem 15: 1703-7 (2007) Article DOI: 10.1016/j.bmc.2006.12.005 BindingDB Entry DOI: 10.7270/Q2X929XP
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM50308531 ((14E)-19-{[(3,4-dimethoxyphenyl)carbonyloxy]methyl...) Show SMILES COC(=O)[C@]1(COC(=O)c2ccc(OC)c(OC)c2)[C@H]2C[C@H]3[C@]45O[C@@H](C[C@]14c1cc(OC)ccc1N5C)[N+]3([O-])C\C2=C\C |r| Show InChI InChI=1S/C32H36N2O9/c1-7-18-16-34(37)26-14-21(18)30(29(36)41-6,17-42-28(35)19-8-11-24(39-4)25(12-19)40-5)31-15-27(34)43-32(26,31)33(2)23-10-9-20(38-3)13-22(23)31/h7-13,21,26-27H,14-17H2,1-6H3/b18-7-/t21-,26-,27-,30-,31-,32-,34?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...				Bioorg Med Chem 18: 2152-8 (2010) Article DOI: 10.1016/j.bmc.2010.01.077 BindingDB Entry DOI: 10.7270/Q2HD7VSQ
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM50308533 (CHEMBL589254 | Methyl (14E)-14-ethylidene-6-methox...) Show SMILES COC(=O)[C@]1(COC(=O)\C=C\c2ccccc2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r| Show InChI InChI=1S/C32H34N2O6/c1-5-21-18-34-26-16-23(21)30(29(36)38-4,19-39-28(35)14-11-20-9-7-6-8-10-20)31-17-27(34)40-32(26,31)33(2)25-13-12-22(37-3)15-24(25)31/h5-15,23,26-27H,16-19H2,1-4H3/b14-11+,21-5-/t23-,26-,27-,30-,31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...				Bioorg Med Chem 18: 2152-8 (2010) Article DOI: 10.1016/j.bmc.2010.01.077 BindingDB Entry DOI: 10.7270/Q2HD7VSQ
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM50308528 (Alstiphyllanine D | CHEMBL540945) Show SMILES COC(=O)[C@]1(COC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r| Show InChI InChI=1S/C33H38N2O9/c1-8-18-16-35-26-14-21(18)31(30(37)42-7,17-43-29(36)19-11-24(39-4)28(41-6)25(12-19)40-5)32-15-27(35)44-33(26,32)34(2)23-10-9-20(38-3)13-22(23)32/h8-13,21,26-27H,14-17H2,1-7H3/b18-8-/t21-,26-,27-,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...				Bioorg Med Chem 18: 2152-8 (2010) Article DOI: 10.1016/j.bmc.2010.01.077 BindingDB Entry DOI: 10.7270/Q2HD7VSQ
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50020306 ((S-isomer)7-{2-[5-(4-Azido-2-hydroxy-phenyl)-3-hyd...) Show SMILES O[C@@H](CCc1ccc(cc1O)N=[N+]=[N-])\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C23H31N3O6/c24-26-25-16-9-7-15(20(28)13-16)8-10-17(27)11-12-19-18(21(29)14-22(19)30)5-3-1-2-4-6-23(31)32/h1,3,7,9,11-13,17-19,21-22,27-30H,2,4-6,8,10,14H2,(H,31,32)/b3-1-,12-11+/t17-,18+,19+,21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50483307 (CHEMBL1643767) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N[C@@H](C[C@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C37H55N5O7S/c1-8-23(4)32(41-34(45)30-16-12-13-17-42(30)7)35(46)39-28(22(2)3)20-31(49-25(6)43)36-40-29(21-50-36)33(44)38-27(18-24(5)37(47)48)19-26-14-10-9-11-15-26/h9-11,14-15,21-24,27-28,30-32H,8,12-13,16-20H2,1-7H3,(H,38,44)(H,39,46)(H,41,45)(H,47,48)/t23-,24-,27+,28-,30+,31-,32-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co Ltd Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization by microtubule assembly assay				Bioorg Med Chem Lett 21: 431-4 (2011) Article DOI: 10.1016/j.bmcl.2010.10.118 BindingDB Entry DOI: 10.7270/Q21J9DMW
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (BOVINE)	BDBM50020302 ((S-isomer)7-{2-[5-(4-Azido-phenyl)-3-hydroxy-pent-...) Show SMILES O[C@@H](CCc1ccc(cc1)N=[N+]=[N-])\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C23H31N3O5/c24-26-25-17-10-7-16(8-11-17)9-12-18(27)13-14-20-19(21(28)15-22(20)29)5-3-1-2-4-6-23(30)31/h1,3,7-8,10-11,13-14,18-22,27-29H,2,4-6,9,12,15H2,(H,30,31)/b3-1-,14-13+/t18-,19+,20+,21-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes...				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50308530 (CHEMBL602442 | Methyl (14E)-14-ethylidene-6-hydrox...) Show SMILES COC(=O)[C@]1(COC(=O)c2cc(O)c(O)c(O)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(O)ccc4N(C)[C@]31O2 |r| Show InChI InChI=1S/C29H30N2O9/c1-4-14-12-31-22-10-17(14)27(26(37)38-3,13-39-25(36)15-7-20(33)24(35)21(34)8-15)28-11-23(31)40-29(22,28)30(2)19-6-5-16(32)9-18(19)28/h4-9,17,22-23,32-35H,10-13H2,1-3H3/b14-4-/t17-,22-,23-,27-,28-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...				Bioorg Med Chem 18: 2152-8 (2010) Article DOI: 10.1016/j.bmc.2010.01.077 BindingDB Entry DOI: 10.7270/Q2HD7VSQ
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (BOVINE)	BDBM50020303 ((R-isomer)7-{2-[5-(4-Azido-3-iodo-phenyl)-3-hydrox...) Show SMILES O[C@@H](CCc1ccc(N=[N+]=[N-])c(I)c1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C23H30IN3O5/c24-19-13-15(8-12-20(19)26-27-25)7-9-16(28)10-11-18-17(21(29)14-22(18)30)5-3-1-2-4-6-23(31)32/h1,3,8,10-13,16-18,21-22,28-30H,2,4-7,9,14H2,(H,31,32)/b3-1-,11-10+/t16-,17+,18+,21-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes...				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50201170 (CHEMBL241838 | carinatumins B (2)) Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@]3(C1)NCC[C@@H](O)[C@H]23 |t:1| Show InChI InChI=1S/C16H20N2O2/c1-9-6-10-7-12-11(2-3-14(20)18-12)16(8-9)15(10)13(19)4-5-17-16/h2-3,6,10,13,15,17,19H,4-5,7-8H2,1H3,(H,18,20)/t10-,13+,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase				Bioorg Med Chem 15: 1703-7 (2007) Article DOI: 10.1016/j.bmc.2006.12.005 BindingDB Entry DOI: 10.7270/Q2X929XP
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50148881 (Acetic acid (2S,3R)-8-hydroxy-2,3,9-trimethyl-4-ox...) Show SMILES C[C@@H]1Oc2c(c(=O)oc3ccc(O)c(C)c23)[C@]1(C)COC(C)=O Show InChI InChI=1S/C17H18O6/c1-8-11(19)5-6-12-13(8)15-14(16(20)23-12)17(4,9(2)22-15)7-21-10(3)18/h5-6,9,19H,7H2,1-4H3/t9-,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of the polymerization of tubulin				Bioorg Med Chem Lett 14: 3665-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.015 BindingDB Entry DOI: 10.7270/Q2Z037MD
					More data for this Ligand-Target Pair
Tubulin beta chain [1-43] (Leishmania donovani)	BDBM50160802 (2,4-Bis-(4-hydroxy-benzyl)-3-[2-(3-hydroxy-phenyl)...) Show SMILES COc1cc(O)c(Cc2ccc(O)cc2)c(CCc2cccc(O)c2)c1Cc1ccc(O)cc1 Show InChI InChI=1S/C29H28O5/c1-34-29-18-28(33)26(16-20-5-10-22(30)11-6-20)25(14-9-19-3-2-4-24(32)15-19)27(29)17-21-7-12-23(31)13-8-21/h2-8,10-13,15,18,30-33H,9,14,16-17H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair
Tubulin beta chain [1-43] (Leishmania donovani)	BDBM50160801 (4-(4-Hydroxy-benzyl)-3-[2-(3-hydroxy-phenyl)-ethyl...) Show SMILES COc1cc(O)cc(CCc2cccc(O)c2)c1Cc1ccc(O)cc1 Show InChI InChI=1S/C22H22O4/c1-26-22-14-20(25)13-17(8-5-15-3-2-4-19(24)11-15)21(22)12-16-6-9-18(23)10-7-16/h2-4,6-7,9-11,13-14,23-25H,5,8,12H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50308532 ((14E)-14-ethylidene-6-methoxy-19-(methoxycarbonyl)...) Show SMILES COC(=O)[C@]1(COC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C[C@H]3[C@]45O[C@@H](C[C@]14c1cc(OC)ccc1N5C)[N+]3([O-])C\C2=C\C |r| Show InChI InChI=1S/C33H38N2O10/c1-8-18-16-35(38)26-14-21(18)31(30(37)43-7,17-44-29(36)19-11-24(40-4)28(42-6)25(12-19)41-5)32-15-27(35)45-33(26,32)34(2)23-10-9-20(39-3)13-22(23)32/h8-13,21,26-27H,14-17H2,1-7H3/b18-8-/t21-,26-,27-,31-,32-,33-,35?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...				Bioorg Med Chem 18: 2152-8 (2010) Article DOI: 10.1016/j.bmc.2010.01.077 BindingDB Entry DOI: 10.7270/Q2HD7VSQ
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50020305 ((R-isomer)7-{2-[4-(3-Azido-5-hydroxy-phenoxy)-3-hy...) Show SMILES O[C@@H](COc1cc(O)cc(c1)N=[N+]=[N-])\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C22H29N3O7/c23-25-24-14-9-16(27)11-17(10-14)32-13-15(26)7-8-19-18(20(28)12-21(19)29)5-3-1-2-4-6-22(30)31/h1,3,7-11,15,18-21,26-29H,2,4-6,12-13H2,(H,30,31)/b3-1-,8-7+/t15-,18-,19-,20+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)				J Med Chem 32: 256-64 (1989) BindingDB Entry DOI: 10.7270/Q23F4Q7C
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50308535 (CHEMBL601712 | methyl (14E)-14-ethylidene-6-methox...) Show SMILES CCC(=O)OC[C@]1([C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2)C(=O)OC |r| Show InChI InChI=1S/C26H32N2O6/c1-6-15-13-28-20-11-17(15)24(23(30)32-5,14-33-22(29)7-2)25-12-21(28)34-26(20,25)27(3)19-9-8-16(31-4)10-18(19)25/h6,8-10,17,20-21H,7,11-14H2,1-5H3/b15-6-/t17-,20-,21-,24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...				Bioorg Med Chem 18: 2152-8 (2010) Article DOI: 10.1016/j.bmc.2010.01.077 BindingDB Entry DOI: 10.7270/Q2HD7VSQ
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM50308529 (CHEMBL589220 | Methyl (14E)-19-[(benzoyloxy)methyl...) Show SMILES COC(=O)[C@]1(COC(=O)c2ccccc2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2 |r| Show InChI InChI=1S/C30H32N2O6/c1-5-18-16-32-24-14-21(18)28(27(34)36-4,17-37-26(33)19-9-7-6-8-10-19)29-15-25(32)38-30(24,29)31(2)23-12-11-20(35-3)13-22(23)29/h5-13,21,24-25H,14-17H2,1-4H3/b18-5-/t21-,24-,25-,28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation...				Bioorg Med Chem 18: 2152-8 (2010) Article DOI: 10.1016/j.bmc.2010.01.077 BindingDB Entry DOI: 10.7270/Q2HD7VSQ
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50316419 (CHEMBL1097908 | Gneyulin B) Show SMILES Oc1ccc([C@@H]2Oc3cc(O)c(cc3[C@H]2c2cc(O)cc(O)c2)[C@@H]2Oc3cc(cc(O)c3[C@H]2c2cc(O)cc(O)c2)-c2cc3ccc(O)cc3o2)c(O)c1 |r| Show InChI InChI=1S/C42H30O12/c43-22-3-4-28(31(49)14-22)41-38(20-5-24(45)12-25(46)6-20)30-16-29(32(50)17-36(30)53-41)42-39(21-7-26(47)13-27(48)8-21)40-33(51)9-19(11-37(40)54-42)34-10-18-1-2-23(44)15-35(18)52-34/h1-17,38-39,41-51H/t38-,39-,41+,42+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of SGLT2 transfected in african green monkey COS1 cells assessed as alpha-D-[U-14C]glucopyranoside uptake after 30 mins by scintillation c...				J Nat Prod 73: 763-7 (2010) Article DOI: 10.1021/np9007987 BindingDB Entry DOI: 10.7270/Q2BP02XJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50223709 (CHEMBL240094 | cryptadine B) Show SMILES C[C@H]1C[C@@H]2N(C)CCCC2=C(C[C@H]2CCC[C@H](CC3=C4CCCN([C@H]4C[C@@H](C)C3)C(C)=O)N2)C1 |c:19,t:10| Show InChI InChI=1S/C30H49N3O/c1-20-14-23(27-10-6-12-32(4)29(27)16-20)18-25-8-5-9-26(31-25)19-24-15-21(2)17-30-28(24)11-7-13-33(30)22(3)34/h20-21,25-26,29-31H,5-19H2,1-4H3/t20-,21+,25-,26-,29+,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of bovine acetylcholinesterase				Bioorg Med Chem 15: 7803-8 (2007) Article DOI: 10.1016/j.bmc.2007.08.043 BindingDB Entry DOI: 10.7270/Q2F190JK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50271482 (CHEMBL455781 | lycoparin C) Show SMILES N[C@@]12CC(CO)=C[C@@H](Cc3[nH]c(=O)ccc13)[C@H]2C=C |r,c:5,THB:4:3:16:8.9.15| Show InChI InChI=1S/C15H18N2O2/c1-2-11-10-5-9(8-18)7-15(11,16)12-3-4-14(19)17-13(12)6-10/h2-5,10-11,18H,1,6-8,16H2,(H,17,19)/t10-,11+,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase from bovine erythrocyte				Bioorg Med Chem 16: 6167-71 (2008) Article DOI: 10.1016/j.bmc.2008.04.044 BindingDB Entry DOI: 10.7270/Q28S4PQ7
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50316418 (CHEMBL1097907 | Gneyulin A) Show SMILES Oc1ccc(\C=C\c2cc3O[C@H]([C@@H](c3c(O)c2)c2cc(O)cc(O)c2)c2cc3[C@H]([C@@H](Oc3cc2O)c2ccc(O)cc2O)c2cc(O)cc(O)c2)c(O)c1 |r| Show InChI InChI=1S/C42H32O12/c43-23-4-3-20(32(49)15-23)2-1-19-7-35(52)40-37(8-19)54-42(39(40)22-11-27(47)14-28(48)12-22)30-17-31-36(18-34(30)51)53-41(29-6-5-24(44)16-33(29)50)38(31)21-9-25(45)13-26(46)10-21/h1-18,38-39,41-52H/b2-1+/t38-,39-,41+,42+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of SGLT2 transfected in african green monkey COS1 cells assessed as alpha-D-[U-14C]glucopyranoside uptake after 30 mins by scintillation c...				J Nat Prod 73: 763-7 (2010) Article DOI: 10.1021/np9007987 BindingDB Entry DOI: 10.7270/Q2BP02XJ
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM50316418 (CHEMBL1097907 | Gneyulin A) Show SMILES Oc1ccc(\C=C\c2cc3O[C@H]([C@@H](c3c(O)c2)c2cc(O)cc(O)c2)c2cc3[C@H]([C@@H](Oc3cc2O)c2ccc(O)cc2O)c2cc(O)cc(O)c2)c(O)c1 |r| Show InChI InChI=1S/C42H32O12/c43-23-4-3-20(32(49)15-23)2-1-19-7-35(52)40-37(8-19)54-42(39(40)22-11-27(47)14-28(48)12-22)30-17-31-36(18-34(30)51)53-41(29-6-5-24(44)16-33(29)50)38(31)21-9-25(45)13-26(46)10-21/h1-18,38-39,41-52H/b2-1+/t38-,39-,41+,42+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of SGLT1 transfected in african green monkey COS1 cells assessed as alpha-D-[U-14C]glucopyranoside uptake after 30 mins by scintillation c...				J Nat Prod 73: 763-7 (2010) Article DOI: 10.1021/np9007987 BindingDB Entry DOI: 10.7270/Q2BP02XJ
					More data for this Ligand-Target Pair
Tubulin beta chain [1-43] (Leishmania donovani)	BDBM50160804 (4,4''-Dimethoxy-[1,1'']biphenanthrenyl-2,7,2'',7''...) Show SMILES COc1cc(O)c(-c2c(O)cc(OC)c3c2ccc2cc(O)ccc32)c2ccc3cc(O)ccc3c12 |(21.69,-24.1,;23.24,-24.11,;24.03,-22.77,;25.57,-22.77,;26.34,-21.43,;27.89,-21.43,;25.56,-20.11,;26.34,-18.76,;25.56,-17.43,;24,-17.44,;26.32,-16.09,;27.88,-16.08,;28.65,-14.73,;30.2,-14.73,;28.66,-17.42,;27.88,-18.76,;28.65,-20.1,;30.2,-20.1,;30.96,-18.75,;32.5,-18.75,;33.27,-17.42,;34.82,-17.42,;32.49,-16.09,;30.96,-16.1,;30.2,-17.42,;24.03,-20.11,;23.25,-18.77,;21.72,-18.78,;20.95,-20.11,;19.42,-20.11,;18.65,-21.43,;17.1,-21.43,;19.41,-22.77,;20.95,-22.78,;21.72,-21.44,;23.26,-21.44,)| Show InChI InChI=1S/C30H22O6/c1-35-25-13-23(33)29(21-7-3-15-11-17(31)5-9-19(15)27(21)25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)34/h3-14,31-34H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair
Tubulin beta chain [1-43] (Leishmania donovani)	BDBM50160803 (4,4''-Dimethoxy-9,10,9'',10''-tetrahydro-[1,3'']bi...) Show SMILES COc1cc(O)c(c2CCc3cc(O)ccc3-c12)-c1c(O)cc2CCc3cc(O)ccc3-c2c1OC |(-6.97,.26,;-5.64,1.03,;-4.31,.27,;-4.31,-1.28,;-2.98,-2.05,;-2.98,-3.58,;-1.65,-1.28,;-1.65,.26,;-.32,1.03,;-.3,2.56,;-1.63,3.33,;-1.6,4.85,;-2.93,5.65,;-2.93,7.18,;-4.29,4.89,;-4.31,3.35,;-2.98,2.57,;-2.98,1.04,;-.32,-2.05,;-.32,-3.59,;-1.65,-4.36,;1.01,-4.36,;2.34,-3.59,;3.67,-4.36,;5.02,-3.59,;5.02,-2.05,;6.38,-1.27,;6.38,.28,;7.73,1.05,;5.02,1.07,;3.69,.3,;3.69,-1.26,;2.34,-2.05,;1.01,-1.27,;1.01,.26,;2.34,1.03,)| Show InChI InChI=1S/C30H26O6/c1-35-25-14-24(34)28(22-8-5-16-12-19(32)7-10-21(16)27(22)25)29-23(33)13-17-4-3-15-11-18(31)6-9-20(15)26(17)30(29)36-2/h6-7,9-14,31-34H,3-5,8H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair
Tubulin beta chain [1-43] (Leishmania donovani)	BDBM50160805 (1-(4-Hydroxy-benzyl)-4,8-dimethoxy-phenanthrene-2,...) Show SMILES COc1cc(O)c(Cc2ccc(O)cc2)c2ccc3c(OC)c(O)ccc3c12 Show InChI InChI=1S/C23H20O5/c1-27-21-12-20(26)18(11-13-3-5-14(24)6-4-13)16-7-8-17-15(22(16)21)9-10-19(25)23(17)28-2/h3-10,12,24-26H,11H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair

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