Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'yoneyama' and Initial = 't'   

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
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50277171 (Asclepin | CHEBI:2867) Show SMILES [H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@@]4([H])C[C@@]5([H])O[C@]6([H])O[C@H](C)C[C@H](OC(C)=O)[C@]6(O)O[C@]5([H])C[C@]4(C=O)[C@@]3([H])CC[C@]12C)C1=CC(=O)OC1 |r,t:48| Show InChI InChI=1S/C31H42O10/c1-16-10-25(39-17(2)33)31(36)27(38-16)40-23-12-19-4-5-22-21(29(19,15-32)13-24(23)41-31)6-8-28(3)20(7-9-30(22,28)35)18-11-26(34)37-14-18/h11,15-16,19-25,27,35-36H,4-10,12-14H2,1-3H3/t16-,19+,20-,21+,22-,23-,24-,25+,27+,28-,29-,30+,31+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of recombinant mouse N-terminal FLAG-tagged Notch1 (1704 to 2531 residues) expressed in human LS174T cells assessed as reduction in doxycy...				J Nat Prod 80: 2453-2461 (2017) Article DOI: 10.1021/acs.jnatprod.7b00282 BindingDB Entry DOI: 10.7270/Q2PC34XH
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50277174 (CHEMBL4164399) Show SMILES [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@]1(C[C@@]1([H])O[C@]3(O)[C@@]([H])(O[C@H](C)C[C@@]33NC(=O)CS3)O[C@]1([H])C2)C=O |r,t:19| Show InChI InChI=1S/C31H41NO9S/c1-16-11-30(32-24(34)14-42-30)31(37)26(39-16)40-22-10-18-3-4-21-20(28(18,15-33)12-23(22)41-31)5-7-27(2)19(6-8-29(21,27)36)17-9-25(35)38-13-17/h9,15-16,18-23,26,36-37H,3-8,10-14H2,1-2H3,(H,32,34)/t16-,18+,19-,20+,21-,22-,23-,26+,27-,28-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of recombinant mouse N-terminal FLAG-tagged Notch1 (1704 to 2531 residues) expressed in human LS174T cells assessed as reduction in doxycy...				J Nat Prod 80: 2453-2461 (2017) Article DOI: 10.1021/acs.jnatprod.7b00282 BindingDB Entry DOI: 10.7270/Q2PC34XH
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50277175 (Uscharin) Show SMILES [H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@@]4([H])C[C@@]5([H])O[C@]6([H])O[C@H](C)C[C@]7(SCC=N7)[C@]6(O)O[C@]5([H])C[C@]4(C=O)[C@@]3([H])CC[C@]12C)C1=CC(=O)OC1 |r,c:25,t:49| Show InChI InChI=1S/C31H41NO8S/c1-17-13-30(32-9-10-41-30)31(36)26(38-17)39-23-12-19-3-4-22-21(28(19,16-33)14-24(23)40-31)5-7-27(2)20(6-8-29(22,27)35)18-11-25(34)37-15-18/h9,11,16-17,19-24,26,35-36H,3-8,10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23-,24-,26+,27-,28-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of recombinant mouse N-terminal FLAG-tagged Notch1 (1704 to 2531 residues) expressed in human LS174T cells assessed as reduction in doxycy...				J Nat Prod 80: 2453-2461 (2017) Article DOI: 10.1021/acs.jnatprod.7b00282 BindingDB Entry DOI: 10.7270/Q2PC34XH
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50277169 (CHEMBL4166735) Show SMILES [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@H](O)C[C@]34O)C3=CC(=O)OC3)[C@]1(C[C@@]1([H])O[C@]3(O)[C@@]([H])(O[C@H](C)C[C@]33SCC=N3)O[C@]1([H])C2)C=O |r,c:45,t:20| Show InChI InChI=1S/C31H41NO9S/c1-16-11-30(32-7-8-42-30)31(37)26(39-16)40-22-10-18-3-4-20-19(28(18,15-33)13-23(22)41-31)5-6-27(2)25(17-9-24(35)38-14-17)21(34)12-29(20,27)36/h7,9,15-16,18-23,25-26,34,36-37H,3-6,8,10-14H2,1-2H3/t16-,18+,19+,20-,21-,22-,23-,25+,26+,27-,28-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of recombinant mouse N-terminal FLAG-tagged Notch1 (1704 to 2531 residues) expressed in human LS174T cells assessed as reduction in doxycy...				J Nat Prod 80: 2453-2461 (2017) Article DOI: 10.1021/acs.jnatprod.7b00282 BindingDB Entry DOI: 10.7270/Q2PC34XH
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50277173 (CHEBI:3329 | Calotropin) Show SMILES [H][C@@]12C[C@]3([H])CC[C@]4([H])[C@]([H])(CC[C@]5(C)[C@H](CC[C@]45O)C4=CC(=O)OC4)[C@]3(C[C@@]1([H])O[C@@]1(O)[C@@H](O)C[C@@H](C)O[C@@]1([H])O2)C=O |t:22| Show InChI InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of recombinant mouse N-terminal FLAG-tagged Notch1 (1704 to 2531 residues) expressed in human LS174T cells assessed as reduction in doxycy...				J Nat Prod 80: 2453-2461 (2017) Article DOI: 10.1021/acs.jnatprod.7b00282 BindingDB Entry DOI: 10.7270/Q2PC34XH
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50277170 (CHEMBL360322) Show SMILES [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@]1(C[C@@]1([H])O[C@]3(O)[C@@]([H])(O[C@H](C)C[C@@]33NCCS3)O[C@]1([H])C2)C=O |t:19| Show InChI InChI=1S/C31H43NO8S/c1-17-13-30(32-9-10-41-30)31(36)26(38-17)39-23-12-19-3-4-22-21(28(19,16-33)14-24(23)40-31)5-7-27(2)20(6-8-29(22,27)35)18-11-25(34)37-15-18/h11,16-17,19-24,26,32,35-36H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23-,24-,26+,27-,28-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of recombinant mouse N-terminal FLAG-tagged Notch1 (1704 to 2531 residues) expressed in human LS174T cells assessed as reduction in doxycy...				J Nat Prod 80: 2453-2461 (2017) Article DOI: 10.1021/acs.jnatprod.7b00282 BindingDB Entry DOI: 10.7270/Q2PC34XH
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50277172 (CHEBI:9913 | Uscharidin) Show SMILES [H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@@]4([H])C[C@@]5([H])O[C@]6([H])O[C@H](C)CC(=O)[C@]6(O)O[C@]5([H])C[C@]4(C=O)[C@@]3([H])CC[C@]12C)C1=CC(=O)OC1 |r,t:45| Show InChI InChI=1S/C29H38O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-22,25,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,25+,26-,27-,28+,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of recombinant mouse N-terminal FLAG-tagged Notch1 (1704 to 2531 residues) expressed in human LS174T cells assessed as reduction in doxycy...				J Nat Prod 80: 2453-2461 (2017) Article DOI: 10.1021/acs.jnatprod.7b00282 BindingDB Entry DOI: 10.7270/Q2PC34XH
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50277176 (CHEMBL4176111) Show SMILES [H][C@@]1(O[C@@H]2C[C@]3([H])CC[C@]4([H])[C@]([H])(CC[C@]5(C)[C@H]([C@H](O)C[C@]45O)C4=CC(=O)OC4)[C@]3(C[C@H]2O)C=O)O[C@H](C)C[C@]1(O)C(=O)OC |r,t:25| Show InChI InChI=1S/C30H42O11/c1-15-10-29(36,25(35)38-3)26(40-15)41-22-9-17-4-5-19-18(28(17,14-31)11-20(22)32)6-7-27(2)24(16-8-23(34)39-13-16)21(33)12-30(19,27)37/h8,14-15,17-22,24,26,32-33,36-37H,4-7,9-13H2,1-3H3/t15-,17+,18+,19-,20-,21-,22-,24+,26+,27-,28-,29+,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Inhibition of recombinant mouse N-terminal FLAG-tagged Notch1 (1704 to 2531 residues) expressed in human LS174T cells assessed as reduction in doxycy...				J Nat Prod 80: 2453-2461 (2017) Article DOI: 10.1021/acs.jnatprod.7b00282 BindingDB Entry DOI: 10.7270/Q2PC34XH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50085572 (CHEMBL3427708) Show SMILES CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCCc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H24O4/c1-2-24-20(14-21(22)23)16-10-12-17(13-11-16)25-19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-13,19-20H,2,5,7,9,14H2,1H3,(H,22,23)/t19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	62	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50085573 (CHEMBL3427707) Show SMILES CCO[C@@H](CC(O)=O)c1ccc(OC2Cc3ccccc3C2)cc1 |r| Show InChI InChI=1S/C20H22O4/c1-2-23-19(13-20(21)22)14-7-9-17(10-8-14)24-18-11-15-5-3-4-6-16(15)12-18/h3-10,18-19H,2,11-13H2,1H3,(H,21,22)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	83	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50085574 (CHEMBL3427706) Show SMILES CCO[C@@H](CC(O)=O)c1ccc(O[C@H]2CCc3ccccc23)cc1 |r| Show InChI InChI=1S/C20H22O4/c1-2-23-19(13-20(21)22)15-7-10-16(11-8-15)24-18-12-9-14-5-3-4-6-17(14)18/h3-8,10-11,18-19H,2,9,12-13H2,1H3,(H,21,22)/t18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	69	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50085591 (CHEMBL3427705) Show SMILES CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3ccccc23)cc1 |r| Show InChI InChI=1S/C20H22O4/c1-2-23-19(13-20(21)22)15-7-10-16(11-8-15)24-18-12-9-14-5-3-4-6-17(14)18/h3-8,10-11,18-19H,2,9,12-13H2,1H3,(H,21,22)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50085548 (CHEMBL3425533) Show SMILES CCO[C@@H](CC(O)=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C19H19F3O4/c1-2-25-17(11-18(23)24)14-5-9-16(10-6-14)26-12-13-3-7-15(8-4-13)19(20,21)22/h3-10,17H,2,11-12H2,1H3,(H,23,24)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.30	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50085592 (CHEMBL3427704) Show SMILES CCO[C@H](CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 |r| Show InChI InChI=1S/C18H18Cl2O4/c1-2-23-17(10-18(21)22)13-4-6-14(7-5-13)24-11-12-3-8-15(19)16(20)9-12/h3-9,17H,2,10-11H2,1H3,(H,21,22)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50085593 (CHEMBL3427703) Show SMILES CCO[C@@H](CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 |r| Show InChI InChI=1S/C18H18Cl2O4/c1-2-23-17(10-18(21)22)13-4-6-14(7-5-13)24-11-12-3-8-15(19)16(20)9-12/h3-9,17H,2,10-11H2,1H3,(H,21,22)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.90	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50085594 (CHEMBL3427702) Show SMILES CCOC(CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C18H18Cl2O4/c1-2-23-17(10-18(21)22)13-4-6-14(7-5-13)24-11-12-3-8-15(19)16(20)9-12/h3-9,17H,2,10-11H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.20	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50019110 (CHEMBL3288362) Show SMILES CCOC(CC(O)=O)c1ccc(OCc2ccccc2C)cc1 Show InChI InChI=1S/C19H22O4/c1-3-22-18(12-19(20)21)15-8-10-17(11-9-15)23-13-16-7-5-4-6-14(16)2/h4-11,18H,3,12-13H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair
14-3-3 protein zeta/delta (Homo sapiens)	BDBM50454781 (CHEMBL4206466) Show SMILES [H][C@]1(CO1)[C@]1(C)O[C@@]23O[C@]1([H])O[C@]2([H])[C@@H](O)[C@@H](O[C@@]1([H])[C@H](O)[C@H](C)[C@]2([H])CC[C@](O)(COC)\C2=C\[C@@]2(C)CCC(C(C)C)=C12)O[C@@H]3COC |r,c:37,t:46| Show InChI InChI=1S/C33H50O11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,36)15-38-7)17(3)24(34)26(23(18)30)41-28-25(35)27-33(22(40-28)13-37-6)43-29(42-27)31(5,44-33)21-14-39-21/h12,16-17,19,21-22,24-29,34-36H,8-11,13-15H2,1-7H3/b20-12+/t17-,19+,21+,22-,24-,25-,26-,27-,28-,29+,30-,31+,32+,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to 14-3-3zeta (unknown origin) assessed as stabilization of protein-protein interaction between 14-3-3zeta and fluorescein-labeled p...				Bioorg Med Chem Lett 28: 646-650 (2018) Article DOI: 10.1016/j.bmcl.2018.01.030 BindingDB Entry DOI: 10.7270/Q2DB84GR
					More data for this Ligand-Target Pair				3D Structure (crystal)
14-3-3 protein zeta/delta (Homo sapiens)	BDBM50454782 (CHEMBL4217121) Show SMILES [H][C@@]12CC[C@](O)(COC)\C1=C\[C@@]1(C)CCC(C(C)C)=C1[C@@]([H])(O[C@H]1O[C@]3([H])COC(C)(C)O[C@@]3([H])[C@H](O)[C@H]1O)[C@H](O)[C@@H]2C |r,c:10,19| Show InChI InChI=1S/C30H48O9/c1-15(2)17-8-10-29(6)12-19-18(9-11-30(19,34)14-35-7)16(3)22(31)26(21(17)29)38-27-24(33)23(32)25-20(37-27)13-36-28(4,5)39-25/h12,15-16,18,20,22-27,31-34H,8-11,13-14H2,1-7H3/b19-12+/t16-,18+,20-,22-,23-,24-,25-,26-,27-,29-,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to 14-3-3zeta (unknown origin) assessed as stabilization of protein-protein interaction between 14-3-3zeta and fluorescein-labeled p...				Bioorg Med Chem Lett 28: 646-650 (2018) Article DOI: 10.1016/j.bmcl.2018.01.030 BindingDB Entry DOI: 10.7270/Q2DB84GR
					More data for this Ligand-Target Pair
14-3-3 protein zeta/delta (Homo sapiens)	BDBM50454783 (CHEMBL4218471) Show SMILES [H][C@@]12CC[C@H](COC)\C1=C\[C@@]1(C)CCC(C(C)C)=C1[C@@]([H])(O[C@H]1O[C@]3([H])COC(C)(C)O[C@@]3([H])[C@H](O)[C@H]1O)[C@H](O)[C@@H]2C |r,c:9,18| Show InChI InChI=1S/C30H48O8/c1-15(2)18-10-11-30(6)12-20-17(13-34-7)8-9-19(20)16(3)23(31)27(22(18)30)37-28-25(33)24(32)26-21(36-28)14-35-29(4,5)38-26/h12,15-17,19,21,23-28,31-33H,8-11,13-14H2,1-7H3/b20-12-/t16-,17-,19+,21-,23-,24-,25-,26-,27-,28-,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to 14-3-3zeta (unknown origin) assessed as stabilization of protein-protein interaction between 14-3-3zeta and fluorescein-labeled p...				Bioorg Med Chem Lett 28: 646-650 (2018) Article DOI: 10.1016/j.bmcl.2018.01.030 BindingDB Entry DOI: 10.7270/Q2DB84GR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50085571 (CHEMBL3427709) Show SMILES CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3C)cc1 |r| Show InChI InChI=1S/C21H24O4/c1-3-24-20(13-21(22)23)15-7-9-16(10-8-15)25-19-12-11-17-14(2)5-4-6-18(17)19/h4-10,19-20H,3,11-13H2,1-2H3,(H,22,23)/t19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50085570 (CHEMBL3427710) Show SMILES CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3OCC)cc1 |r| Show InChI InChI=1S/C22H26O5/c1-3-25-19-7-5-6-17-18(19)12-13-20(17)27-16-10-8-15(9-11-16)21(26-4-2)14-22(23)24/h5-11,20-21H,3-4,12-14H2,1-2H3,(H,23,24)/t20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50085569 (CHEMBL3427711) Show SMILES CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3Cl)cc1 |r| Show InChI InChI=1S/C20H21ClO4/c1-2-24-19(12-20(22)23)13-6-8-14(9-7-13)25-18-11-10-15-16(18)4-3-5-17(15)21/h3-9,18-19H,2,10-12H2,1H3,(H,22,23)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50085568 (CHEMBL3427712) Show SMILES CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H21F3O4/c1-2-27-19(12-20(25)26)13-6-8-14(9-7-13)28-18-11-10-15-16(18)4-3-5-17(15)21(22,23)24/h3-9,18-19H,2,10-12H2,1H3,(H,25,26)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50085552 (CHEMBL3427713) Show SMILES CCO[C@@H](CC(O)=O)c1ccc(O[C@H]2CCc3c2cccc3C(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H21F3O4/c1-2-27-19(12-20(25)26)13-6-8-14(9-7-13)28-18-11-10-15-16(18)4-3-5-17(15)21(22,23)24/h3-9,18-19H,2,10-12H2,1H3,(H,25,26)/t18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50085550 (CHEMBL3427714) Show SMILES CCO[C@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H21F3O4/c1-2-27-19(12-20(25)26)13-6-8-14(9-7-13)28-18-11-10-15-16(18)4-3-5-17(15)21(22,23)24/h3-9,18-19H,2,10-12H2,1H3,(H,25,26)/t18-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair
14-3-3 protein zeta/delta (Homo sapiens)	BDBM50454784 (CHEMBL4215246) Show SMILES [H][C@@]12CC[C@@](COC)(OC)\C1=C\[C@@]1(C)CCC(C(C)C)=C1[C@@]([H])(O[C@H]1O[C@]3([H])COC(C)(C)O[C@@]3([H])[C@H](O)[C@H]1O)[C@H](O)[C@@H]2C |r,c:11,20| Show InChI InChI=1S/C31H50O9/c1-16(2)18-9-11-30(6)13-20-19(10-12-31(20,36-8)15-35-7)17(3)23(32)27(22(18)30)39-28-25(34)24(33)26-21(38-28)14-37-29(4,5)40-26/h13,16-17,19,21,23-28,32-34H,9-12,14-15H2,1-8H3/b20-13+/t17-,19+,21-,23-,24-,25-,26-,27-,28-,30-,31+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to 14-3-3zeta (unknown origin) assessed as stabilization of protein-protein interaction between 14-3-3zeta and fluorescein-labeled p...				Bioorg Med Chem Lett 28: 646-650 (2018) Article DOI: 10.1016/j.bmcl.2018.01.030 BindingDB Entry DOI: 10.7270/Q2DB84GR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50085548 (CHEMBL3425533) Show SMILES CCO[C@@H](CC(O)=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C19H19F3O4/c1-2-25-17(11-18(23)24)14-5-9-16(10-6-14)26-12-13-3-7-15(8-4-13)19(20,21)22/h3-10,17H,2,11-12H2,1H3,(H,23,24)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at PPARgamma (unknown origin)				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50085549 (CHEMBL3427715) Show SMILES CCO[C@H](CC(O)=O)c1ccc(O[C@H]2CCc3c2cccc3C(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H21F3O4/c1-2-27-19(12-20(25)26)13-6-8-14(9-7-13)28-18-11-10-15-16(18)4-3-5-17(15)21(22,23)24/h3-9,18-19H,2,10-12H2,1H3,(H,25,26)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay				ACS Med Chem Lett 6: 266-70 (2015) Article DOI: 10.1021/ml500391n BindingDB Entry DOI: 10.7270/Q26T0PBH
					More data for this Ligand-Target Pair