Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'lamb' and Initial = 'jp'   

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 5 (Rattus norvegicus (Rat))	BDBM50323286 (3-cyano-5-fluoro-N-m-tolylbenzamide | CHEMBL120920...) Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1 Show InChI InChI=1S/C15H11FN2O/c1-10-3-2-4-14(5-10)18-15(19)12-6-11(9-17)7-13(16)8-12/h2-8H,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	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]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323308 (3-cyano-5-fluoro-N-(4-methylthiazol-2-yl)benzamide...) Show SMILES Cc1csc(NC(=O)c2cc(F)cc(c2)C#N)n1 Show InChI InChI=1S/C12H8FN3OS/c1-7-6-18-12(15-7)16-11(17)9-2-8(5-14)3-10(13)4-9/h2-4,6H,1H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	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]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50258619 (3-Cyano-5-fluoro-N-(6-methylpyridin-2-yl)-benzamid...) Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1 Show InChI InChI=1S/C14H10FN3O/c1-9-3-2-4-13(17-9)18-14(19)11-5-10(8-16)6-12(15)7-11/h2-7H,1H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	157	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]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323289 (CHEMBL1209202 | N-(3-chlorophenyl)-3-cyano-5-fluor...) Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)c1)C#N Show InChI InChI=1S/C14H8ClFN2O/c15-11-2-1-3-13(7-11)18-14(19)10-4-9(8-17)5-12(16)6-10/h1-7H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	206	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]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50369432 (CHEMBL1627465) Show SMILES CC(C)(C)c1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@]23C)cc1 Show InChI InChI=1S/C29H39NO4S/c1-27(2,3)21-8-5-19(6-9-21)18-29(31)16-14-26-25-11-7-20-17-22(34-35(30,32)33)10-12-23(20)24(25)13-15-28(26,29)4/h5-6,8-10,12,17,24-26,31H,7,11,13-16,18H2,1-4H3,(H2,30,32,33)/t24-,25-,26+,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
CHU de Qu£bec - Research Center Curated by ChEMBL					Assay Description Irreversible inhibition of human steroid sulfatase expressed in HEK293 cells using [3H] E1S as substrate after 2 hrs by liquid scintillation counting...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115368 BindingDB Entry DOI: 10.7270/Q2V98CNK
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50545255 (CHEMBL4643348) Show SMILES [H][C@@]12CC[C@@](O)(Cc3ccc(cc3)C(C)(C)C)C1(C)CC[C@]1([H])c3cc(OC)c(OS(N)(=O)=O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C30H41NO5S/c1-28(2,3)21-9-6-19(7-10-21)18-30(32)15-13-25-23-11-8-20-16-27(36-37(31,33)34)26(35-5)17-24(20)22(23)12-14-29(25,30)4/h6-7,9-10,16-17,22-23,25,32H,8,11-15,18H2,1-5H3,(H2,31,33,34)/t22-,23+,25-,29?,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
CHU de Qu£bec - Research Center Curated by ChEMBL					Assay Description Irreversible inhibition of human steroid sulfatase expressed in HEK293 cells using [3H] E1S as substrate after 2 hrs by liquid scintillation counting...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115368 BindingDB Entry DOI: 10.7270/Q2V98CNK
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50369432 (CHEMBL1627465) Show SMILES CC(C)(C)c1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@]23C)cc1 Show InChI InChI=1S/C29H39NO4S/c1-27(2,3)21-8-5-19(6-9-21)18-29(31)16-14-26-25-11-7-20-17-22(34-35(30,32)33)10-12-23(20)24(25)13-15-28(26,29)4/h5-6,8-10,12,17,24-26,31H,7,11,13-16,18H2,1-4H3,(H2,30,32,33)/t24-,25-,26+,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
CHU de Qu£bec - Research Center Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase (unknown origin) expressed in HEK293 cells using [3H] E1S as substrate after 2 hrs by scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115368 BindingDB Entry DOI: 10.7270/Q2V98CNK
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50545254 (CHEMBL4639657) Show SMILES [H][C@@]12CC[C@@](O)(CNS(=O)(=O)c3cccc4c(cccc34)N(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(OS(N)(=O)=O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C31H39N3O6S2/c1-30-16-14-23-22-13-11-21(40-42(32,38)39)18-20(22)10-12-24(23)27(30)15-17-31(30,35)19-33-41(36,37)29-9-5-6-25-26(29)7-4-8-28(25)34(2)3/h4-9,11,13,18,23-24,27,33,35H,10,12,14-17,19H2,1-3H3,(H2,32,38,39)/t23-,24-,27+,30+,31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
CHU de Qu£bec - Research Center Curated by ChEMBL					Assay Description Irreversible inhibition of steroid sulfatase (unknown origin) expressed in HEK293 cells using [3H] E1S as substrate after 2 hrs by scintillation coun...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115368 BindingDB Entry DOI: 10.7270/Q2V98CNK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50243109 (5-(2-m-tolylethynyl)pyrimidine | 5-(m-tolylethynyl...) Show SMILES Cc1cccc(c1)C#Cc1cncnc1 Show InChI InChI=1S/C13H10N2/c1-11-3-2-4-12(7-11)5-6-13-8-14-10-15-9-13/h2-4,7-10H,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	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulator activity at rat mGluR5 receptor expressed in HEK293A cells				Bioorg Med Chem Lett 21: 2711-4 (2011) Article DOI: 10.1016/j.bmcl.2010.11.119 BindingDB Entry DOI: 10.7270/Q21C1X6Z
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50366532 (CHEMBL518966) Show SMILES CC(C)(C)c1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1 Show InChI InChI=1S/C29H38O2/c1-27(2,3)21-8-5-19(6-9-21)18-29(31)16-14-26-25-11-7-20-17-22(30)10-12-23(20)24(25)13-15-28(26,29)4/h5-6,8-10,12,17,24-26,30-31H,7,11,13-16,18H2,1-4H3/t24-,25-,26+,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
CHU de Qu£bec - Research Center Curated by ChEMBL					Assay Description Reversible inhibition of steroid sulfatase in human JEG3 cells using [3H] E1S as substrate by scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115368 BindingDB Entry DOI: 10.7270/Q2V98CNK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323289 (CHEMBL1209202 | N-(3-chlorophenyl)-3-cyano-5-fluor...) Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)c1)C#N Show InChI InChI=1S/C14H8ClFN2O/c15-11-2-1-3-13(7-11)18-14(19)10-4-9(8-17)5-12(16)6-10/h1-7H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50366532 (CHEMBL518966) Show SMILES CC(C)(C)c1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1 Show InChI InChI=1S/C29H38O2/c1-27(2,3)21-8-5-19(6-9-21)18-29(31)16-14-26-25-11-7-20-17-22(30)10-12-23(20)24(25)13-15-28(26,29)4/h5-6,8-10,12,17,24-26,30-31H,7,11,13-16,18H2,1-4H3/t24-,25-,26+,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
CHU de Qu£bec - Research Center Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase (unknown origin) expressed in HEK293 cells using [3H] E1S as substrate after 2 hrs by scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115368 BindingDB Entry DOI: 10.7270/Q2V98CNK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323308 (3-cyano-5-fluoro-N-(4-methylthiazol-2-yl)benzamide...) Show SMILES Cc1csc(NC(=O)c2cc(F)cc(c2)C#N)n1 Show InChI InChI=1S/C12H8FN3OS/c1-7-6-18-12(15-7)16-11(17)9-2-8(5-14)3-10(13)4-9/h2-4,6H,1H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50258619 (3-Cyano-5-fluoro-N-(6-methylpyridin-2-yl)-benzamid...) Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1 Show InChI InChI=1S/C14H10FN3O/c1-9-3-2-4-13(17-9)18-14(19)11-5-10(8-16)6-12(15)7-11/h2-7H,1H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50545253 (CHEMBL4632735) Show SMILES [H][C@@]12CC[C@@](O)(CNS(=O)(=O)c3cccc4c(cccc34)N(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C31H38N2O4S/c1-30-16-14-23-22-13-11-21(34)18-20(22)10-12-24(23)27(30)15-17-31(30,35)19-32-38(36,37)29-9-5-6-25-26(29)7-4-8-28(25)33(2)3/h4-9,11,13,18,23-24,27,32,34-35H,10,12,14-17,19H2,1-3H3/t23-,24-,27+,30+,31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
CHU de Qu£bec - Research Center Curated by ChEMBL					Assay Description Reversible inhibition of steroid sulfatase (unknown origin) expressed in HEK293 cells using [3H] E1S as substrate after 2 hrs by scintillation counti...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115368 BindingDB Entry DOI: 10.7270/Q2V98CNK
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50342460 ((S)-cyclobutyl(2-(3-(3-methoxyphenyl)-1,2,4-oxadia...) Show SMILES COc1cccc(c1)-c1noc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r| Show InChI InChI=1S/C19H23N3O3/c1-24-15-9-5-8-14(12-15)17-20-18(25-21-17)16-10-2-3-11-22(16)19(23)13-6-4-7-13/h5,8-9,12-13,16H,2-4,6-7,10-11H2,1H3/t16-/m0/s1	PDB MMDB 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
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincu...				Bioorg Med Chem Lett 21: 2711-4 (2011) Article DOI: 10.1016/j.bmcl.2010.11.119 BindingDB Entry DOI: 10.7270/Q21C1X6Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	7.4	25
Oxford University					Assay Description Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...				ACS Chem Biol 12: 2619-2630 (2017) Article DOI: 10.1021/acschembio.7b00481 BindingDB Entry DOI: 10.7270/Q2HM56MX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323286 (3-cyano-5-fluoro-N-m-tolylbenzamide | CHEMBL120920...) Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1 Show InChI InChI=1S/C15H11FN2O/c1-10-3-2-4-14(5-10)18-15(19)12-6-11(9-17)7-13(16)8-12/h2-8H,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50032927 (CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1 Show InChI InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	7.4	25
Oxford University					Assay Description Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...				ACS Chem Biol 12: 2619-2630 (2017) Article DOI: 10.1021/acschembio.7b00481 BindingDB Entry DOI: 10.7270/Q2HM56MX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50342472 ((S)-(3-(3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)pi...) Show SMILES Clc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)C1CCC1 |r| Show InChI InChI=1S/C18H20ClN3O2/c19-15-8-2-6-13(10-15)16-20-17(24-21-16)14-7-3-9-22(11-14)18(23)12-4-1-5-12/h2,6,8,10,12,14H,1,3-5,7,9,11H2/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincu...				Bioorg Med Chem Lett 21: 2711-4 (2011) Article DOI: 10.1016/j.bmcl.2010.11.119 BindingDB Entry DOI: 10.7270/Q21C1X6Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323304 (CHEMBL1209327 | N-(6-chloropyridin-2-yl)-3-cyano-5...) Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)n1)C#N Show InChI InChI=1S/C13H7ClFN3O/c14-11-2-1-3-12(17-11)18-13(19)9-4-8(7-16)5-10(15)6-9/h1-6H,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C Show InChI InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	7.4	25
Oxford University					Assay Description Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...				ACS Chem Biol 12: 2619-2630 (2017) Article DOI: 10.1021/acschembio.7b00481 BindingDB Entry DOI: 10.7270/Q2HM56MX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50342428 ((R)-cyclopropyl(2-(3-m-tolyl-1,2,4-oxadiazol-5-yl)...) Show SMILES Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CC1 |r| Show InChI InChI=1S/C18H21N3O2/c1-12-5-4-6-14(11-12)16-19-17(23-20-16)15-7-2-3-10-21(15)18(22)13-8-9-13/h4-6,11,13,15H,2-3,7-10H2,1H3/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Partial antagonist activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincubated for 1...				Bioorg Med Chem Lett 21: 2711-4 (2011) Article DOI: 10.1016/j.bmcl.2010.11.119 BindingDB Entry DOI: 10.7270/Q21C1X6Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50342430 ((R)-cyclobutyl(2-(3-m-tolyl-1,2,4-oxadiazol-5-yl)p...) Show SMILES Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCC1 |r| Show InChI InChI=1S/C19H23N3O2/c1-13-6-4-9-15(12-13)17-20-18(24-21-17)16-10-2-3-11-22(16)19(23)14-7-5-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincu...				Bioorg Med Chem Lett 21: 2711-4 (2011) Article DOI: 10.1016/j.bmcl.2010.11.119 BindingDB Entry DOI: 10.7270/Q21C1X6Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50342461 ((R)-cyclobutyl(2-(3-(3-methoxyphenyl)-1,2,4-oxadia...) Show SMILES COc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCC1 |r| Show InChI InChI=1S/C19H23N3O3/c1-24-15-9-5-8-14(12-15)17-20-18(25-21-17)16-10-2-3-11-22(16)19(23)13-6-4-7-13/h5,8-9,12-13,16H,2-4,6-7,10-11H2,1H3/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincu...				Bioorg Med Chem Lett 21: 2711-4 (2011) Article DOI: 10.1016/j.bmcl.2010.11.119 BindingDB Entry DOI: 10.7270/Q21C1X6Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	311	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323279 (3-cyano-N-(3-ethynylphenyl)-5-fluorobenzamide | CH...) Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(c1)C#C)C#N Show InChI InChI=1S/C16H9FN2O/c1-2-11-4-3-5-15(8-11)19-16(20)13-6-12(10-18)7-14(17)9-13/h1,3-9H,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323275 (CHEMBL1209618 | N-(3-chloro-2-fluorophenyl)-3-cyan...) Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)c1F)C#N Show InChI InChI=1S/C14H7ClF2N2O/c15-11-2-1-3-12(13(11)17)19-14(20)9-4-8(7-18)5-10(16)6-9/h1-6H,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	347	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50342428 ((R)-cyclopropyl(2-(3-m-tolyl-1,2,4-oxadiazol-5-yl)...) Show SMILES Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CC1 |r| Show InChI InChI=1S/C18H21N3O2/c1-12-5-4-6-14(11-12)16-19-17(23-20-16)15-7-2-3-10-21(15)18(22)13-8-9-13/h4-6,11,13,15H,2-3,7-10H2,1H3/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincu...				Bioorg Med Chem Lett 21: 2711-4 (2011) Article DOI: 10.1016/j.bmcl.2010.11.119 BindingDB Entry DOI: 10.7270/Q21C1X6Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323274 (CHEMBL1209619 | N-(3-chloro-4-fluorophenyl)-3-cyan...) Show SMILES Fc1cc(cc(c1)C(=O)Nc1ccc(F)c(Cl)c1)C#N Show InChI InChI=1S/C14H7ClF2N2O/c15-12-6-11(1-2-13(12)17)19-14(20)9-3-8(7-18)4-10(16)5-9/h1-6H,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	377	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50243108 (5-(phenylethynyl)pyrimidine | CHEMBL486244) Show SMILES c1ccc(cc1)C#Cc1cncnc1 Show InChI InChI=1S/C12H8N2/c1-2-4-11(5-3-1)6-7-12-8-13-10-14-9-12/h1-5,8-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	486	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 21: 2711-4 (2011) Article DOI: 10.1016/j.bmcl.2010.11.119 BindingDB Entry DOI: 10.7270/Q21C1X6Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323280 (3-cyano-N-(3-cyanophenyl)-5-fluorobenzamide | CHEM...) Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(c1)C#N)C#N Show InChI InChI=1S/C15H8FN3O/c16-13-5-11(9-18)4-12(7-13)15(20)19-14-3-1-2-10(6-14)8-17/h1-7H,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	489	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50342459 ((S)-cyclobutyl(2-(3-m-tolyl-1,2,4-oxadiazol-5-yl)p...) Show SMILES Cc1cccc(c1)-c1noc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r| Show InChI InChI=1S/C19H23N3O2/c1-13-6-4-9-15(12-13)17-20-18(24-21-17)16-10-2-3-11-22(16)19(23)14-7-5-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincu...				Bioorg Med Chem Lett 21: 2711-4 (2011) Article DOI: 10.1016/j.bmcl.2010.11.119 BindingDB Entry DOI: 10.7270/Q21C1X6Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323301 (3-cyano-N-(6-ethylpyridin-2-yl)-5-fluorobenzamide ...) Show SMILES CCc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1 Show InChI InChI=1S/C15H12FN3O/c1-2-13-4-3-5-14(18-13)19-15(20)11-6-10(9-17)7-12(16)8-11/h3-8H,2H2,1H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	505	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323281 (3-cyano-5-fluoro-N-(3-(trifluoromethyl)phenyl)benz...) Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(c1)C(F)(F)F)C#N Show InChI InChI=1S/C15H8F4N2O/c16-12-5-9(8-20)4-10(6-12)14(22)21-13-3-1-2-11(7-13)15(17,18)19/h1-7H,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	543	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323299 (3-cyano-N-(4,5-dimethylthiazol-2-yl)-5-fluorobenza...) Show SMILES Cc1nc(NC(=O)c2cc(F)cc(c2)C#N)sc1C Show InChI InChI=1S/C13H10FN3OS/c1-7-8(2)19-13(16-7)17-12(18)10-3-9(6-15)4-11(14)5-10/h3-5H,1-2H3,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	594	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50342432 ((R)-cyclopentyl(2-(3-m-tolyl-1,2,4-oxadiazol-5-yl)...) Show SMILES Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCCC1 |r| Show InChI InChI=1S/C20H25N3O2/c1-14-7-6-10-16(13-14)18-21-19(25-22-18)17-11-4-5-12-23(17)20(24)15-8-2-3-9-15/h6-7,10,13,15,17H,2-5,8-9,11-12H2,1H3/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Partial antagonist activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincubated for 1...				Bioorg Med Chem Lett 21: 2711-4 (2011) Article DOI: 10.1016/j.bmcl.2010.11.119 BindingDB Entry DOI: 10.7270/Q21C1X6Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 1 (Homo sapiens (Human))	BDBM50157570 (4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...) Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	619	n/a	n/a	n/a	n/a	7.4	25
Oxford University					Assay Description Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...				ACS Chem Biol 12: 2619-2630 (2017) Article DOI: 10.1021/acschembio.7b00481 BindingDB Entry DOI: 10.7270/Q2HM56MX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50342474 ((S)-cyclobutyl(3-(3-m-tolyl-1,2,4-oxadiazol-5-yl)p...) Show SMILES Cc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)C1CCC1 |r| Show InChI InChI=1S/C19H23N3O2/c1-13-5-2-8-15(11-13)17-20-18(24-21-17)16-9-4-10-22(12-16)19(23)14-6-3-7-14/h2,5,8,11,14,16H,3-4,6-7,9-10,12H2,1H3/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincu...				Bioorg Med Chem Lett 21: 2711-4 (2011) Article DOI: 10.1016/j.bmcl.2010.11.119 BindingDB Entry DOI: 10.7270/Q21C1X6Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	701	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50342435 ((R)-thiophen-2-yl(2-(3-m-tolyl-1,2,4-oxadiazol-5-y...) Show SMILES Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)c1cccs1 |r| Show InChI InChI=1S/C19H19N3O2S/c1-13-6-4-7-14(12-13)17-20-18(24-21-17)15-8-2-3-10-22(15)19(23)16-9-5-11-25-16/h4-7,9,11-12,15H,2-3,8,10H2,1H3/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincu...				Bioorg Med Chem Lett 21: 2711-4 (2011) Article DOI: 10.1016/j.bmcl.2010.11.119 BindingDB Entry DOI: 10.7270/Q21C1X6Z
					More data for this Ligand-Target Pair

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