Compile Data Set for Download or QSAR

Found 228 hits with Last Name = 'chen' and Initial = 'ss'   

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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using RHK-K(Ac)-AMC as sub...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116454 BindingDB Entry DOI: 10.7270/Q2XS6097
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length recombinant C-terminal FLAG/His-tagged human HDAC1 expressed in baculovirus infected Sf21 insect cells using RHK-K(Ac)-AMC ...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116454 BindingDB Entry DOI: 10.7270/Q2XS6097
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using fluorogenic-(RHKKAc) as substrate by fluorescence assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115250 BindingDB Entry DOI: 10.7270/Q2D79FXN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 insect cells by using RHK-K(Ac)-AMC as substra...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115250 BindingDB Entry DOI: 10.7270/Q2D79FXN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate measured a...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115250 BindingDB Entry DOI: 10.7270/Q2D79FXN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50539609 (CHEMBL4644775) Show SMILES COc1cc(Oc2ccc3nc(\C=C\C(=O)NO)ccc3c2)cc(OC)c1OC Show InChI InChI=1S/C21H20N2O6/c1-26-18-11-16(12-19(27-2)21(18)28-3)29-15-7-8-17-13(10-15)4-5-14(22-17)6-9-20(24)23-25/h4-12,25H,1-3H3,(H,23,24)/b9-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate measured a...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115250 BindingDB Entry DOI: 10.7270/Q2D79FXN
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50377302 (CHEMBL255930) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(n2)C(F)(F)F)cc1)-c1ccccc1 Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-5-3-2-4-6-20)12-14-39-22-9-7-19(8-10-22)15-21-16-36(17-23(21)27(37)38)28-33-13-11-25(35-28)29(30,31)32/h2-11,13,21,23H,12,14-17H2,1H3,(H,37,38)/t21-,23+/m1/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50377302 (CHEMBL255930) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(n2)C(F)(F)F)cc1)-c1ccccc1 Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-5-3-2-4-6-20)12-14-39-22-9-7-19(8-10-22)15-21-16-36(17-23(21)27(37)38)28-33-13-11-25(35-28)29(30,31)32/h2-11,13,21,23H,12,14-17H2,1H3,(H,37,38)/t21-,23+/m1/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063315 (CHEMBL3398446) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(n2)C(F)(F)F)c1)-c1ccccc1 |r| Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-7-3-2-4-8-20)11-13-39-22-9-5-6-19(15-22)14-21-16-36(17-23(21)27(37)38)28-33-12-10-25(35-28)29(30,31)32/h2-10,12,15,21,23H,11,13-14,16-17H2,1H3,(H,37,38)/t21-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50539610 (CHEMBL4632668) Show SMILES COc1ccc(Oc2ccc3nc(\C=C\C(=O)NO)ccc3c2)cc1 Show InChI InChI=1S/C19H16N2O4/c1-24-15-5-7-16(8-6-15)25-17-9-10-18-13(12-17)2-3-14(20-18)4-11-19(22)21-23/h2-12,23H,1H3,(H,21,22)/b11-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using fluorogenic-(RHKKAc) as substrate by fluorescence assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115250 BindingDB Entry DOI: 10.7270/Q2D79FXN
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50539609 (CHEMBL4644775) Show SMILES COc1cc(Oc2ccc3nc(\C=C\C(=O)NO)ccc3c2)cc(OC)c1OC Show InChI InChI=1S/C21H20N2O6/c1-26-18-11-16(12-19(27-2)21(18)28-3)29-15-7-8-17-13(10-15)4-5-14(22-17)6-9-20(24)23-25/h4-12,25H,1-3H3,(H,23,24)/b9-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using fluorogenic-(RHKKAc) as substrate by fluorescence assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115250 BindingDB Entry DOI: 10.7270/Q2D79FXN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	28.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length recombinant C-terminal GST-fusion-tagged human HDAC2 expressed in insect cells using RHK-K(Ac)-AMC as substrate measured af...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116454 BindingDB Entry DOI: 10.7270/Q2XS6097
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	32.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of VEGFR2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116454 BindingDB Entry DOI: 10.7270/Q2XS6097
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063311 (CHEMBL3398444) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C30H30N2O4/c1-21-28(31-29(36-21)23-10-4-2-5-11-23)15-16-35-26-14-8-9-22(18-26)17-24-19-32(20-27(24)30(33)34)25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,33,34)/t24-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063311 (CHEMBL3398444) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C30H30N2O4/c1-21-28(31-29(36-21)23-10-4-2-5-11-23)15-16-35-26-14-8-9-22(18-26)17-24-19-32(20-27(24)30(33)34)25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,33,34)/t24-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063315 (CHEMBL3398446) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(n2)C(F)(F)F)c1)-c1ccccc1 |r| Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-7-3-2-4-8-20)11-13-39-22-9-5-6-19(15-22)14-21-16-36(17-23(21)27(37)38)28-33-12-10-25(35-28)29(30,31)32/h2-10,12,15,21,23H,11,13-14,16-17H2,1H3,(H,37,38)/t21-,23+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50539607 (CHEMBL4636226) Show SMILES COc1ccc(cc1)-c1ccc2nc(\C=C\C(=O)NO)ccc2c1 Show InChI InChI=1S/C19H16N2O3/c1-24-17-8-3-13(4-9-17)14-5-10-18-15(12-14)2-6-16(20-18)7-11-19(22)21-23/h2-12,23H,1H3,(H,21,22)/b11-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using fluorogenic-(RHKKAc) as substrate by fluorescence assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115250 BindingDB Entry DOI: 10.7270/Q2D79FXN
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063313 (CHEMBL3398454) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nc(co2)C(F)(F)F)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H26F3N3O5/c1-17-23(32-25(39-17)19-5-3-2-4-6-19)11-12-37-21-9-7-18(8-10-21)13-20-14-34(15-22(20)26(35)36)27-33-24(16-38-27)28(29,30)31/h2-10,16,20,22H,11-15H2,1H3,(H,35,36)/t20-,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50539608 (CHEMBL4646266) Show SMILES ONC(=O)\C=C\c1ccc2cc(Oc3ccc(cc3)[N+]([O-])=O)ccc2n1 Show InChI InChI=1S/C18H13N3O5/c22-18(20-23)10-3-13-2-1-12-11-16(8-9-17(12)19-13)26-15-6-4-14(5-7-15)21(24)25/h1-11,23H,(H,20,22)/b10-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using fluorogenic-(RHKKAc) as substrate by fluorescence assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115250 BindingDB Entry DOI: 10.7270/Q2D79FXN
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063089 (CHEMBL3398443) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-8-4-2-5-9-23)16-17-37-25-14-12-22(13-15-25)18-24-19-33(20-27(24)30(34)35)31(36)39-26-10-6-3-7-11-26/h2-15,24,27H,16-20H2,1H3,(H,34,35)/t24-,27+/m1/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	80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063311 (CHEMBL3398444) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C30H30N2O4/c1-21-28(31-29(36-21)23-10-4-2-5-11-23)15-16-35-26-14-8-9-22(18-26)17-24-19-32(20-27(24)30(33)34)25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,33,34)/t24-,27+/m1/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	80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063311 (CHEMBL3398444) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C30H30N2O4/c1-21-28(31-29(36-21)23-10-4-2-5-11-23)15-16-35-26-14-8-9-22(18-26)17-24-19-32(20-27(24)30(33)34)25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,33,34)/t24-,27+/m1/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	80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063089 (CHEMBL3398443) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-8-4-2-5-9-23)16-17-37-25-14-12-22(13-15-25)18-24-19-33(20-27(24)30(34)35)31(36)39-26-10-6-3-7-11-26/h2-15,24,27H,16-20H2,1H3,(H,34,35)/t24-,27+/m1/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	80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063099 (CHEMBL3398459) Show SMILES Cc1oc(nc1CCOc1ccc(CC[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-8-4-2-5-9-24)18-19-38-26-16-13-23(14-17-26)12-15-25-20-34(21-28(25)31(35)36)32(37)40-27-10-6-3-7-11-27/h2-11,13-14,16-17,25,28H,12,15,18-21H2,1H3,(H,35,36)/t25-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063316 (CHEMBL3398447) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2CN(C[C@H]2C(O)=O)c2nccc(n2)C(F)(F)F)c1)-c1ccccc1 |r| Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-7-3-2-4-8-20)11-13-39-22-9-5-6-19(15-22)14-21-16-36(17-23(21)27(37)38)28-33-12-10-25(35-28)29(30,31)32/h2-10,12,15,21,23H,11,13-14,16-17H2,1H3,(H,37,38)/t21-,23+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of VEGFR2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116454 BindingDB Entry DOI: 10.7270/Q2XS6097
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063090 (CHEMBL3398445) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2CN(C[C@H]2C(O)=O)c2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C30H30N2O4/c1-21-28(31-29(36-21)23-10-4-2-5-11-23)15-16-35-26-14-8-9-22(18-26)17-24-19-32(20-27(24)30(33)34)25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,33,34)/t24-,27+/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	140	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50587265 (CHEMBL5087583) Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using RHK-K(Ac)-AMC as sub...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116454 BindingDB Entry DOI: 10.7270/Q2XS6097
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063309 (CHEMBL3398436) Show SMILES CCOC(=O)N1C[C@@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(23(17-29)26(30)31)14-19-8-7-11-22(15-19)34-13-12-24-18(2)35-25(28-24)20-9-5-4-6-10-20/h4-11,15,21,23H,3,12-14,16-17H2,1-2H3,(H,30,31)/t21-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063309 (CHEMBL3398436) Show SMILES CCOC(=O)N1C[C@@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(23(17-29)26(30)31)14-19-8-7-11-22(15-19)34-13-12-24-18(2)35-25(28-24)20-9-5-4-6-10-20/h4-11,15,21,23H,3,12-14,16-17H2,1-2H3,(H,30,31)/t21-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063317 (CHEMBL3398463) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2CN(C[C@@H]2CC(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-31(39-22)24-10-4-2-5-11-24)15-16-38-28-14-8-9-23(18-28)17-25-20-34(21-26(25)19-30(35)36)32(37)40-27-12-6-3-7-13-27/h2-14,18,25-26H,15-17,19-21H2,1H3,(H,35,36)/t25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063093 (CHEMBL3398456) Show SMILES Cc1oc(nc1CCOc1cccc(CC[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-10-4-2-5-11-24)17-18-38-27-14-8-9-23(19-27)15-16-25-20-34(21-28(25)31(35)36)32(37)40-26-12-6-3-7-13-26/h2-14,19,25,28H,15-18,20-21H2,1H3,(H,35,36)/t25-,28+/m1/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	210	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063314 (CHEMBL3398438) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-10-4-2-5-11-23)15-16-37-26-14-8-9-22(18-26)17-24-19-33(20-27(24)30(34)35)31(36)39-25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,34,35)/t24-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063314 (CHEMBL3398438) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-10-4-2-5-11-23)15-16-37-26-14-8-9-22(18-26)17-24-19-33(20-27(24)30(34)35)31(36)39-25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,34,35)/t24-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063323 (CHEMBL3398431) Show SMILES Cc1oc(nc1CCOc1cccc(c1)[C@@H]1CN(C[C@@H]1CC(O)=O)C(=O)Oc1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-30(38-21)22-9-4-2-5-10-22)15-16-37-26-14-8-11-23(17-26)27-20-33(19-24(27)18-29(34)35)31(36)39-25-12-6-3-7-13-25/h2-14,17,24,27H,15-16,18-20H2,1H3,(H,34,35)/t24-,27-/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	240	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50587266 (CHEMBL5086690) Show SMILES ONC(=O)c1ccc(CN2CCc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc23)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using RHK-K(Ac)-AMC as sub...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116454 BindingDB Entry DOI: 10.7270/Q2XS6097
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063090 (CHEMBL3398445) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2CN(C[C@H]2C(O)=O)c2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C30H30N2O4/c1-21-28(31-29(36-21)23-10-4-2-5-11-23)15-16-35-26-14-8-9-22(18-26)17-24-19-32(20-27(24)30(33)34)25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,33,34)/t24-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063219 (CHEMBL3398461) Show SMILES Cc1oc(nc1CCOc1ccc(CC[C@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-8-4-2-5-9-24)18-19-38-26-16-13-23(14-17-26)12-15-25-20-34(21-28(25)31(35)36)32(37)40-27-10-6-3-7-11-27/h2-11,13-14,16-17,25,28H,12,15,18-21H2,1H3,(H,35,36)/t25-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063486 (CHEMBL3398449) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(C)n2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C29H30N4O4/c1-19-12-14-30-29(31-19)33-17-23(25(18-33)28(34)35)16-21-8-10-24(11-9-21)36-15-13-26-20(2)37-27(32-26)22-6-4-3-5-7-22/h3-12,14,23,25H,13,15-18H2,1-2H3,(H,34,35)/t23-,25+/m1/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	450	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063099 (CHEMBL3398459) Show SMILES Cc1oc(nc1CCOc1ccc(CC[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-8-4-2-5-9-24)18-19-38-26-16-13-23(14-17-26)12-15-25-20-34(21-28(25)31(35)36)32(37)40-27-10-6-3-7-11-27/h2-11,13-14,16-17,25,28H,12,15,18-21H2,1H3,(H,35,36)/t25-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063092 (CHEMBL3398455) Show SMILES CCOC(=O)N1C[C@@H](CCc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C28H32N2O6/c1-3-34-28(33)30-17-22(24(18-30)27(31)32)13-12-20-8-7-11-23(16-20)35-15-14-25-19(2)36-26(29-25)21-9-5-4-6-10-21/h4-11,16,22,24H,3,12-15,17-18H2,1-2H3,(H,31,32)/t22-,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063314 (CHEMBL3398438) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-10-4-2-5-11-23)15-16-37-26-14-8-9-22(18-26)17-24-19-33(20-27(24)30(34)35)31(36)39-25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,34,35)/t24-,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063314 (CHEMBL3398438) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-10-4-2-5-11-23)15-16-37-26-14-8-9-22(18-26)17-24-19-33(20-27(24)30(34)35)31(36)39-25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,34,35)/t24-,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063489 (CHEMBL3398457) Show SMILES Cc1oc(nc1CCOc1cccc(CC[C@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-10-4-2-5-11-24)17-18-38-27-14-8-9-23(19-27)15-16-25-20-34(21-28(25)31(35)36)32(37)40-26-12-6-3-7-13-26/h2-14,19,25,28H,15-18,20-21H2,1H3,(H,35,36)/t25-,28-/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	520	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063312 (CHEMBL3398453) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nc3ccccc3o2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H29N3O5/c1-20-26(32-29(38-20)22-7-3-2-4-8-22)15-16-37-24-13-11-21(12-14-24)17-23-18-34(19-25(23)30(35)36)31-33-27-9-5-6-10-28(27)39-31/h2-14,23,25H,15-19H2,1H3,(H,35,36)/t23-,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063327 (CHEMBL3398439) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2CN(C[C@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-10-4-2-5-11-23)15-16-37-26-14-8-9-22(18-26)17-24-19-33(20-27(24)30(34)35)31(36)39-25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,34,35)/t24-,27+/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	590	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063089 (CHEMBL3398443) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-8-4-2-5-9-23)16-17-37-25-14-12-22(13-15-25)18-24-19-33(20-27(24)30(34)35)31(36)39-26-10-6-3-7-11-26/h2-15,24,27H,16-20H2,1H3,(H,34,35)/t24-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063089 (CHEMBL3398443) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-8-4-2-5-9-23)16-17-37-25-14-12-22(13-15-25)18-24-19-33(20-27(24)30(34)35)31(36)39-26-10-6-3-7-11-26/h2-15,24,27H,16-20H2,1H3,(H,34,35)/t24-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate measured a...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115250 BindingDB Entry DOI: 10.7270/Q2D79FXN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063327 (CHEMBL3398439) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2CN(C[C@H]2C(O)=O)C(=O)Oc2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-10-4-2-5-11-23)15-16-37-26-14-8-9-22(18-26)17-24-19-33(20-27(24)30(34)35)31(36)39-25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,34,35)/t24-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair

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