Compile Data Set for Download or QSAR

Found 771 hits with Last Name = 'mackie' and Initial = 'c'   

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
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50399088 (CHEMBL2179319) Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-phenyl-1-piperidinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine from mGlu2 receptor (unkno...				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50194617 (CHEMBL3926416) Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1 Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-phenyl-1-piperidinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine from mGlu2 receptor (unkno...				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50392432 (CHEMBL2151817) Show SMILES C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C |r| Show InChI InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in human HEK293 cells after 1 hr by scintillation counter				Bioorg Med Chem Lett 22: 6481-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.043 BindingDB Entry DOI: 10.7270/Q2KD200S
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50051408 (CHEMBL3337527 | US11071729, Compound 2) Show SMILES CCCCn1ccc(N2CCC(CC2)c2ccccc2)c(Cl)c1=O Show InChI InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-phenyl-1-piperidinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine from mGlu2 receptor (unkno...				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50337958 (CHEMBL1684242 | N-cyclobutyl-6-((3-fluorophenyl)et...) Show SMILES Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1 Show InChI InChI=1S/C18H15FN2O/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in human HEK293 cells after 1 hr by scintillation counter				Bioorg Med Chem Lett 22: 6481-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.043 BindingDB Entry DOI: 10.7270/Q2KD200S
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM44464 (2-(2-chloro-N-mesyl-anilino)-N-(3-chlorophenyl)ace...) Show SMILES CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl Show InChI InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]-methoxyPEPy from rat mGlu5 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem Lett 22: 7388-92 (2012) Article DOI: 10.1016/j.bmcl.2012.10.068 BindingDB Entry DOI: 10.7270/Q2H996BR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50402788 (CHEMBL2208408) Show SMILES CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1Cl Show InChI InChI=1S/C15H15ClN2O3S/c1-22(20,21)18(14-10-6-5-9-13(14)16)11-15(19)17-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]-methoxyPEPy from rat mGlu5 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem Lett 22: 7388-92 (2012) Article DOI: 10.1016/j.bmcl.2012.10.068 BindingDB Entry DOI: 10.7270/Q2H996BR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50402787 (CHEMBL2208405) Show SMILES CS(=O)(=O)N(CC(=O)NCC1CC1)c1cc(ccc1Cl)C(F)(F)F Show InChI InChI=1S/C14H16ClF3N2O3S/c1-24(22,23)20(8-13(21)19-7-9-2-3-9)12-6-10(14(16,17)18)4-5-11(12)15/h4-6,9H,2-3,7-8H2,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]-methoxyPEPy from rat mGlu5 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem Lett 22: 7388-92 (2012) Article DOI: 10.1016/j.bmcl.2012.10.068 BindingDB Entry DOI: 10.7270/Q2H996BR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50392425 (CHEMBL2151790) Show SMILES CCCCOc1ccc(cc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C17H17F2NO2/c1-2-3-10-22-14-7-4-12(5-8-14)17(21)20-16-9-6-13(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in human HEK293 cells after 1 hr by scintillation counter				Bioorg Med Chem Lett 22: 6481-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.043 BindingDB Entry DOI: 10.7270/Q2KD200S
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50304782 (CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...) Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC11				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50304782 (CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...) Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC1				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50304782 (CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...) Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC10				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50304782 (CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...) Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC4				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50304782 (CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...) Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC5				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50304783 ((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...) Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC1				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50304782 (CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...) Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC3				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50304782 (CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...) Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC2				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50399088 (CHEMBL2179319) Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Binding affinity to human mGlu2R expressed in CHO cells by radioligand binding assay				J Med Chem 55: 8770-89 (2012) Article DOI: 10.1021/jm3010724 BindingDB Entry DOI: 10.7270/Q26111FF
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50304783 ((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...) Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC2				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50304783 ((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...) Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC11				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50304783 ((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...) Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC5				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50304782 (CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...) Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC8				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50304782 (CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...) Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC9				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50304783 ((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...) Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC3				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50304783 ((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...) Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC8				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50304783 ((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...) Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC9				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50304783 ((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...) Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC10				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50304782 (CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...) Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC7				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50304782 (CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...) Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC6				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50051408 (CHEMBL3337527 | US11071729, Compound 2) Show SMILES CCCCn1ccc(N2CCC(CC2)c2ccccc2)c(Cl)c1=O Show InChI InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Displacement of [3H]19 from human mGlu2 receptor expressed in CHO cells				J Med Chem 57: 6495-512 (2014) Article DOI: 10.1021/jm500496m BindingDB Entry DOI: 10.7270/Q2DJ5H8J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50304783 ((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...) Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC7				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50064474 (CHEMBL3401204) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)c(Cl)n2C1=O Show InChI InChI=1S/C19H15ClFN3O2/c20-18-16(12-26-15-4-2-1-3-5-15)22-17-10-11-23(19(25)24(17)18)14-8-6-13(21)7-9-14/h1-9H,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Negative allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50064474 (CHEMBL3401204) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)c(Cl)n2C1=O Show InChI InChI=1S/C19H15ClFN3O2/c20-18-16(12-26-15-4-2-1-3-5-15)22-17-10-11-23(19(25)24(17)18)14-8-6-13(21)7-9-14/h1-9H,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Negative allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50304783 ((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...) Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	207	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC4				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50064472 (CHEMBL3401192) Show SMILES Fc1ccc(cc1)-n1ccc2nc(COc3ccccc3)c(Cl)n2c1=O Show InChI InChI=1S/C19H13ClFN3O2/c20-18-16(12-26-15-4-2-1-3-5-15)22-17-10-11-23(19(25)24(17)18)14-8-6-13(21)7-9-14/h1-11H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	218	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Negative allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50064472 (CHEMBL3401192) Show SMILES Fc1ccc(cc1)-n1ccc2nc(COc3ccccc3)c(Cl)n2c1=O Show InChI InChI=1S/C19H13ClFN3O2/c20-18-16(12-26-15-4-2-1-3-5-15)22-17-10-11-23(19(25)24(17)18)14-8-6-13(21)7-9-14/h1-11H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Negative allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50304783 ((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...) Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
Ortho-Biotech Oncology Research& Development Curated by ChEMBL					Assay Description Inhibition of human HDAC6				Bioorg Med Chem Lett 20: 294-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.118 BindingDB Entry DOI: 10.7270/Q2DB81ZS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM50064444 (CHEMBL3401195) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O Show InChI InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Negative allosteric modulation at mGluR3 (unknown origin)				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50064475 (CHEMBL3401205) Show SMILES Cc1c(COc2ccccc2)nc2CCN(C(=O)n12)c1ccc(F)cc1 Show InChI InChI=1S/C20H18FN3O2/c1-14-18(13-26-17-5-3-2-4-6-17)22-19-11-12-23(20(25)24(14)19)16-9-7-15(21)8-10-16/h2-10H,11-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	524	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Negative allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50064475 (CHEMBL3401205) Show SMILES Cc1c(COc2ccccc2)nc2CCN(C(=O)n12)c1ccc(F)cc1 Show InChI InChI=1S/C20H18FN3O2/c1-14-18(13-26-17-5-3-2-4-6-17)22-19-11-12-23(20(25)24(14)19)16-9-7-15(21)8-10-16/h2-10H,11-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	525	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Negative allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM50064463 (CHEMBL3401177) Show SMILES Fc1ccc(cc1)-n1ccc2nc(COc3ccccc3)cn2c1=O Show InChI InChI=1S/C19H14FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-12H,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Negative allosteric modulation at mGluR3 (unknown origin)				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50064473 (CHEMBL3401194) Show SMILES Cc1cn(-c2ccc(F)cc2)c(=O)n2cc(COc3ccccc3)nc12 Show InChI InChI=1S/C20H16FN3O2/c1-14-11-23(17-9-7-15(21)8-10-17)20(25)24-12-16(22-19(14)24)13-26-18-5-3-2-4-6-18/h2-12H,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Negative allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50064473 (CHEMBL3401194) Show SMILES Cc1cn(-c2ccc(F)cc2)c(=O)n2cc(COc3ccccc3)nc12 Show InChI InChI=1S/C20H16FN3O2/c1-14-11-23(17-9-7-15(21)8-10-17)20(25)24-12-16(22-19(14)24)13-26-18-5-3-2-4-6-18/h2-12H,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Negative allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50047394 (CHEMBL3309848) Show SMILES O=C1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C14H14N2O2/c17-14-7-4-8-16-13(14)9-11(15-16)10-18-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 24: 3641-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.087 BindingDB Entry DOI: 10.7270/Q2GT5PT5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50047406 (CHEMBL3310738) Show SMILES CC1(C)CCn2nc(COc3ccccc3)cc2C1=O Show InChI InChI=1S/C16H18N2O2/c1-16(2)8-9-18-14(15(16)19)10-12(17-18)11-20-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3	PDB MMDB 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	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 24: 3641-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.087 BindingDB Entry DOI: 10.7270/Q2GT5PT5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50402787 (CHEMBL2208405) Show SMILES CS(=O)(=O)N(CC(=O)NCC1CC1)c1cc(ccc1Cl)C(F)(F)F Show InChI InChI=1S/C14H16ClF3N2O3S/c1-24(22,23)20(8-13(21)19-7-9-2-3-9)12-6-10(14(16,17)18)4-5-11(12)15/h4-6,9H,2-3,7-8H2,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 22: 7388-92 (2012) Article DOI: 10.1016/j.bmcl.2012.10.068 BindingDB Entry DOI: 10.7270/Q2H996BR
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50110188 (CHEMBL3605277) Show SMILES Fc1ccc(cc1)C(=O)N1CCc2nc(COc3cccc(F)c3)oc2C1 Show InChI InChI=1S/C20H16F2N2O3/c21-14-6-4-13(5-7-14)20(25)24-9-8-17-18(11-24)27-19(23-17)12-26-16-3-1-2-15(22)10-16/h1-7,10H,8-9,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 25: 3515-9 (2015) Article DOI: 10.1016/j.bmcl.2015.06.096 BindingDB Entry DOI: 10.7270/Q2ZK5JFH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50134443 (CHEMBL3746457) Show SMILES Fc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O Show InChI InChI=1S/C18H15FN4O2/c19-13-6-7-17(20-11-13)22-8-9-23-16(18(22)24)10-14(21-23)12-25-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 26: 429-34 (2016) Article DOI: 10.1016/j.bmcl.2015.11.098 BindingDB Entry DOI: 10.7270/Q2SJ1NGS
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50399088 (CHEMBL2179319) Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 55: 8770-89 (2012) Article DOI: 10.1021/jm3010724 BindingDB Entry DOI: 10.7270/Q26111FF
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50110189 (CHEMBL3605296) Show SMILES O=C(N1CCc2nc(COc3ccccc3)oc2C1)c1n[nH]c2ncccc12 Show InChI InChI=1S/C20H17N5O3/c26-20(18-14-7-4-9-21-19(14)24-23-18)25-10-8-15-16(11-25)28-17(22-15)12-27-13-5-2-1-3-6-13/h1-7,9H,8,10-12H2,(H,21,23,24)	PDB MMDB 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	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 25: 3515-9 (2015) Article DOI: 10.1016/j.bmcl.2015.06.096 BindingDB Entry DOI: 10.7270/Q2ZK5JFH
					More data for this Ligand-Target Pair

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