Compile Data Set for Download or QSAR

Found 689 hits with Last Name = 'maeng' and Initial = 'cy'   

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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells using RHK-K(Ac)-AMC as substrate ...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					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	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 cells using RHK-K(Ac)-AMC as subst...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					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	10.5	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrat...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	11.1	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/human recombinant N-terminal GST-tagged NCOR2 expressed i...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 11 (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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	11.4	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged HDAC11 (1 to 347 residues) expressed in insect cells/baculovirus expression system using RHK-K(...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50446481 (CHEMBL3110004 | US10011611, TMP269 | US10722597, C...) Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	23.2	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC9 using trifluoroacetyl lysine as substrate				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					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	29	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using Fluor de Lys-SIRT1 as substrate incubated for 15 mins by fluorescence assay				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	34.8	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC10 using RHK-K(Ac)-AMC as substrate				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50446481 (CHEMBL3110004 | US10011611, TMP269 | US10722597, C...) Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	40.9	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate incubat...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50446481 (CHEMBL3110004 | US10011611, TMP269 | US10722597, C...) Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His-tagged HDAC5 (657 to 1123 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate incuba...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50446481 (CHEMBL3110004 | US10011611, TMP269 | US10722597, C...) Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-tagged C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in insect cells using Boc-K(TFA)-A...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50156678 (CHEMBL3792392) Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1 Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+	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	199	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using Fluor de Lys-SIRT1 as substrate incubated for 15 mins by fluorescence assay				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					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	307	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-K(Ac)-AMC as substrate incu...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase (Homo sapiens (Human))	BDBM50156678 (CHEMBL3792392) Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1 Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells using Boc-acetyl-lysine-AMC as substrate incubated for 24 hrs by fluorometric assay				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50156678 (CHEMBL3792392) Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1 Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+	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	567	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells using RHK-K(Ac)-AMC as substrate ...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50156678 (CHEMBL3792392) Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1 Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells using fluor de Lys as substrate incubated for 20 mins by microplate spectrofluorometric analysis				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50156678 (CHEMBL3792392) Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1 Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+	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	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-K(Ac)-AMC as substrate incu...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50156679 (CHEMBL3793080) Show SMILES ONC(=O)CCS\C=C\c1ccccc1 Show InChI InChI=1S/C11H13NO2S/c13-11(12-14)7-9-15-8-6-10-4-2-1-3-5-10/h1-6,8,14H,7,9H2,(H,12,13)/b8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells using fluor de Lys as substrate incubated for 20 mins by microplate spectrofluorometric analysis				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells using fluor de Lys as substrate incubated for 20 mins by microplate spectrofluorometric analysis				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50156678 (CHEMBL3792392) Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1 Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 cells using RHK-K(Ac)-AMC as subst...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50156678 (CHEMBL3792392) Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1 Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrat...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50156678 (CHEMBL3792392) Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1 Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+	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	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Fluor de Lys-SIRT1 as substrate incubated for 15 mins by fluorescence assay				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (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	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Fluor de Lys-SIRT1 as substrate incubated for 15 mins by fluorescence assay				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50156678 (CHEMBL3792392) Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1 Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/human recombinant N-terminal GST-tagged NCOR2 expressed i...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50156682 (CHEMBL3794384) Show SMILES O=C(CCS\C=C\c1ccccc1)NCCSCc1ccco1 Show InChI InChI=1S/C18H21NO2S2/c20-18(19-10-14-23-15-17-7-4-11-21-17)9-13-22-12-8-16-5-2-1-3-6-16/h1-8,11-12H,9-10,13-15H2,(H,19,20)/b12-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells using fluor de Lys as substrate incubated for 20 mins by microplate spectrofluorometric analysis				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50156678 (CHEMBL3792392) Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1 Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-tagged C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in insect cells using Boc-K(TFA)-A...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50156678 (CHEMBL3792392) Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1 Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His-tagged HDAC5 (657 to 1123 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate incuba...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50156681 (CHEMBL3794274) Show SMILES Cc1ncsc1CCn1cc(NC(=O)CCS\C=C/c2ccccc2)cn1 Show InChI InChI=1S/C20H22N4OS2/c1-16-19(27-15-21-16)7-10-24-14-18(13-22-24)23-20(25)9-12-26-11-8-17-5-3-2-4-6-17/h2-6,8,11,13-15H,7,9-10,12H2,1H3,(H,23,25)/b11-8-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells using fluor de Lys as substrate incubated for 20 mins by microplate spectrofluorometric analysis				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50156678 (CHEMBL3792392) Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1 Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged HDAC11 (1 to 347 residues) expressed in insect cells/baculovirus expression system using RHK-K(...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50156678 (CHEMBL3792392) Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1 Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC10 using RHK-K(Ac)-AMC as substrate				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292146 (US10100057, Example 1 | US11046702, Example 1 | US...) Show SMILES Fc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C19H14FN3O/c20-18-9-5-4-8-17(18)14-10-21-19-22-15(12-23(19)11-14)13-24-16-6-2-1-3-7-16/h1-12H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292147 (US10100057, Example 2 | US11046702, Example 2 | US...) Show SMILES C(Oc1ccccc1)c1cn2cc(cnc2n1)-c1ccccc1 Show InChI InChI=1S/C19H15N3O/c1-3-7-15(8-4-1)16-11-20-19-21-17(13-22(19)12-16)14-23-18-9-5-2-6-10-18/h1-13H,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292148 (US10100057, Example 3 | US11046702, Example 3 | US...) Show SMILES Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C19H13F2N3O/c20-14-6-7-17(18(21)8-14)13-9-22-19-23-15(11-24(19)10-13)12-25-16-4-2-1-3-5-16/h1-11H,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292149 (US10100057, Example 4 | US11046702, Example 4 | US...) Show SMILES COc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C20H17N3O2/c1-24-19-10-6-5-9-18(19)15-11-21-20-22-16(13-23(20)12-15)14-25-17-7-3-2-4-8-17/h2-13H,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292150 (US10100057, Example 5 | US11046702, Example 5 | US...) Show SMILES Cc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C20H17N3O/c1-15-7-5-6-10-19(15)16-11-21-20-22-17(13-23(20)12-16)14-24-18-8-3-2-4-9-18/h2-13H,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292151 (US10100057, Example 6 | US11046702, Example 6 | US...) Show SMILES Cc1cc(F)ccc1-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C20H16FN3O/c1-14-9-16(21)7-8-19(14)15-10-22-20-23-17(12-24(20)11-15)13-25-18-5-3-2-4-6-18/h2-12H,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292152 (US10100057, Example 7 | US11046702, Example 7 | US...) Show SMILES Fc1cccc(c1F)-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C19H13F2N3O/c20-17-8-4-7-16(18(17)21)13-9-22-19-23-14(11-24(19)10-13)12-25-15-5-2-1-3-6-15/h1-11H,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292153 (US10100057, Example 59 | US10100057, Example 8 | U...) Show SMILES Fc1ccc(cc1)-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C19H14FN3O/c20-16-8-6-14(7-9-16)15-10-21-19-22-17(12-23(19)11-15)13-24-18-4-2-1-3-5-18/h1-12H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292154 (US10100057, Example 9 | US11046702, Example 9 | US...) Show SMILES Nc1cccc(c1)-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C19H16N4O/c20-16-6-4-5-14(9-16)15-10-21-19-22-17(12-23(19)11-15)13-24-18-7-2-1-3-8-18/h1-12H,13,20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292155 (US10100057, Example 10 | US11046702, Example 10 | ...) Show SMILES Nc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C19H16N4O/c20-18-9-5-4-8-17(18)14-10-21-19-22-15(12-23(19)11-14)13-24-16-6-2-1-3-7-16/h1-12H,13,20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292156 (US10100057, Example 11 | US11046702, Example 11 | ...) Show SMILES Cc1ccc(N)cc1-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C20H18N4O/c1-14-7-8-16(21)9-19(14)15-10-22-20-23-17(12-24(20)11-15)13-25-18-5-3-2-4-6-18/h2-12H,13,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292157 (US10100057, Example 12 | US11046702, Example 12 | ...) Show SMILES Nc1cc(ccc1F)-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C19H15FN4O/c20-17-7-6-13(8-18(17)21)14-9-22-19-23-15(11-24(19)10-14)12-25-16-4-2-1-3-5-16/h1-11H,12,21H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292158 (US10100057, Example 13 | US11046702, Example 13 | ...) Show SMILES Fc1ccc(cc1Cl)-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C19H13ClFN3O/c20-17-8-13(6-7-18(17)21)14-9-22-19-23-15(11-24(19)10-14)12-25-16-4-2-1-3-5-16/h1-11H,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292159 (US10100057, Example 14 | US11046702, Example 14 | ...) Show SMILES CN(C)c1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C21H20N4O/c1-24(2)20-11-7-6-10-19(20)16-12-22-21-23-17(14-25(21)13-16)15-26-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292160 (US10100057, Example 15 | US11046702, Example 15 | ...) Show SMILES Fc1ccc(c(Cl)c1)-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C19H13ClFN3O/c20-18-8-14(21)6-7-17(18)13-9-22-19-23-15(11-24(19)10-13)12-25-16-4-2-1-3-5-16/h1-11H,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292161 (US10100057, Example 16 | US11046702, Example 16 | ...) Show SMILES Oc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C19H15N3O2/c23-18-9-5-4-8-17(18)14-10-20-19-21-15(12-22(19)11-14)13-24-16-6-2-1-3-7-16/h1-12,23H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292162 (US10100057, Example 17 | US11046702, Example 17 | ...) Show SMILES Oc1cccc(c1)-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C19H15N3O2/c23-17-6-4-5-14(9-17)15-10-20-19-21-16(12-22(19)11-15)13-24-18-7-2-1-3-8-18/h1-12,23H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292163 (US10100057, Example 18 | US11046702, Example 18 | ...) Show SMILES Fc1ccc(-c2cnc3nc(COc4ccccc4)cn3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H13F4N3O/c21-14-6-7-17(18(8-14)20(22,23)24)13-9-25-19-26-15(11-27(19)10-13)12-28-16-4-2-1-3-5-16/h1-11H,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292164 (US10100057, Example 19 | US11046702, Example 19 | ...) Show SMILES Fc1ccc(cc1F)-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C19H13F2N3O/c20-17-7-6-13(8-18(17)21)14-9-22-19-23-15(11-24(19)10-14)12-25-16-4-2-1-3-5-16/h1-11H,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM292165 (US10100057, Example 20 | US11046702, Example 20 | ...) Show SMILES COc1cc(F)ccc1-c1cnc2nc(COc3ccccc3)cn2c1 Show InChI InChI=1S/C20H16FN3O2/c1-25-19-9-15(21)7-8-18(19)14-10-22-20-23-16(12-24(20)11-14)13-26-17-5-3-2-4-6-17/h2-12H,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	25
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 r...				US Patent US10100057 (2018) BindingDB Entry DOI: 10.7270/Q2028TKW
					More data for this Ligand-Target Pair

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