Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'sheehan' and Initial = 'sm'   

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 (Homo sapiens (Human))	BDBM50395922 (CHEMBL2164552) Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]AZD9272 from human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395922 (CHEMBL2164552) Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of rat recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracellu...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50395922 (CHEMBL2164552) Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of rat recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracellu...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15471 (4-[(1-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}cyclope...) Show SMILES NC(=O)c1ccc(OCC2(CCCC2)NCC(=O)c2ccsc2)cc1 Show InChI InChI=1S/C19H22N2O3S/c20-18(23)14-3-5-16(6-4-14)24-13-19(8-1-2-9-19)21-11-17(22)15-7-10-25-12-15/h3-7,10,12,21H,1-2,8-9,11,13H2,(H2,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 1765-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.074 BindingDB Entry DOI: 10.7270/Q247483F
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395922 (CHEMBL2164552) Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50395922 (CHEMBL2164552) Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]AZD9272 from mGluR5 in Sprague-Dawley rat striatum by autoradiographic analysis				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395942 (CHEMBL2164545) Show SMILES Fc1cc(cc(c1)-c1nc(co1)-c1ccccn1)C#N Show InChI InChI=1S/C15H8FN3O/c16-12-6-10(8-17)5-11(7-12)15-19-14(9-20-15)13-3-1-2-4-18-13/h1-7,9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395941 (CHEMBL2164546) Show SMILES Fc1cc(cc(c1)-c1noc(n1)-c1ccccn1)C#N Show InChI InChI=1S/C14H7FN4O/c15-11-6-9(8-16)5-10(7-11)13-18-14(20-19-13)12-3-1-2-4-17-12/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50395937 (CHEMBL2164538) Show SMILES Cc1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C9H8N2S/c1-7-11-9(6-12-7)8-3-2-4-10-5-8/h2-6H,1H3	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	24	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]AZD9272 from mGluR5 in Sprague-Dawley rat striatum by autoradiographic analysis				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395943 (CHEMBL2164544) Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccccn1)C#N Show InChI InChI=1S/C14H7FN4O/c15-11-6-9(8-16)5-10(7-11)14-18-13(19-20-14)12-3-1-2-4-17-12/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of glutamate-stimulated ...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15465 (4-[(3R)-3-{[2-(3,4-difluorophenyl)-2-oxoethyl]amin...) Show SMILES C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C19H20F2N2O2/c1-12(2-3-13-4-6-14(7-5-13)19(22)25)23-11-18(24)15-8-9-16(20)17(21)10-15/h4-10,12,23H,2-3,11H2,1H3,(H2,22,25)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 1765-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.074 BindingDB Entry DOI: 10.7270/Q247483F
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50151909 (3-(3-Pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-benzonitr...) Show SMILES N#Cc1cccc(c1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C14H8N4O/c15-9-10-4-3-5-11(8-10)14-17-13(18-19-14)12-6-1-2-7-16-12/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395922 (CHEMBL2164552) Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of glutamate-stimulated ...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395940 (CHEMBL2164547) Show SMILES Fc1cc(cc(c1)-c1ccc(o1)-c1ccccn1)C#N Show InChI InChI=1S/C16H9FN2O/c17-13-8-11(10-18)7-12(9-13)15-4-5-16(20-15)14-3-1-2-6-19-14/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15464 (4-[(3R)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}bu...) Show SMILES C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H21FN2O2/c1-13(2-3-14-4-6-16(7-5-14)19(21)24)22-12-18(23)15-8-10-17(20)11-9-15/h4-11,13,22H,2-3,12H2,1H3,(H2,21,24)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 1765-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.074 BindingDB Entry DOI: 10.7270/Q247483F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15469 (4-[(3R)-3-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}but...) Show SMILES C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccsc1 |r| Show InChI InChI=1S/C17H20N2O2S/c1-12(19-10-16(20)15-8-9-22-11-15)2-3-13-4-6-14(7-5-13)17(18)21/h4-9,11-12,19H,2-3,10H2,1H3,(H2,18,21)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 1765-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.074 BindingDB Entry DOI: 10.7270/Q247483F
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM38857 (2-[5-(3-Chloro-phenyl)-[1,2,4]oxadiazol-3-yl]-pyri...) Show SMILES Clc1cccc(c1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C13H8ClN3O/c14-10-5-3-4-9(8-10)13-16-12(17-18-13)11-6-1-2-7-15-11/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395929 (CHEMBL2164560) Show SMILES Brc1cccc(c1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C13H8BrN3O/c14-10-5-3-4-9(8-10)13-16-12(17-18-13)11-6-1-2-7-15-11/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395936 (CHEMBL2164553) Show SMILES Clc1cc(Cl)cc(c1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C13H7Cl2N3O/c14-9-5-8(6-10(15)7-9)13-17-12(18-19-13)11-3-1-2-4-16-11/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395926 (CHEMBL2164541) Show SMILES Fc1cc(F)cc(c1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C13H7F2N3O/c14-9-5-8(6-10(15)7-9)13-17-12(18-19-13)11-3-1-2-4-16-11/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395924 (CHEMBL2164543) Show SMILES N#Cc1cc(cc(c1)-c1nc(no1)-c1ccccn1)C#N Show InChI InChI=1S/C15H7N5O/c16-8-10-5-11(9-17)7-12(6-10)15-19-14(20-21-15)13-3-1-2-4-18-13/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM90654 (2-[5-(3-Nitro-phenyl)-[1,2,4]oxadiazol-3-yl]-pyrid...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C13H8N4O3/c18-17(19)10-5-3-4-9(8-10)13-15-12(16-20-13)11-6-1-2-7-14-11/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	236	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395933 (CHEMBL2164556) Show SMILES Clc1cccc(-c2nc(no2)-c2ccccn2)c1Cl Show InChI InChI=1S/C13H7Cl2N3O/c14-9-5-3-4-8(11(9)15)13-17-12(18-19-13)10-6-1-2-7-16-10/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	274	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15463 (4-[(3R)-3-[(2-oxo-2- phenylethyl)amino]butyl]benza...) Show SMILES C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H22N2O2/c1-14(21-13-18(22)16-5-3-2-4-6-16)7-8-15-9-11-17(12-10-15)19(20)23/h2-6,9-12,14,21H,7-8,13H2,1H3,(H2,20,23)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 1765-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.074 BindingDB Entry DOI: 10.7270/Q247483F
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15470 (4-[(2R)-2-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}pro...) Show SMILES C[C@H](COc1ccc(cc1)C(N)=O)NCC(=O)c1ccsc1 |r| Show InChI InChI=1S/C16H18N2O3S/c1-11(18-8-15(19)13-6-7-22-10-13)9-21-14-4-2-12(3-5-14)16(17)20/h2-7,10-11,18H,8-9H2,1H3,(H2,17,20)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 1765-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.074 BindingDB Entry DOI: 10.7270/Q247483F
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395935 (CHEMBL2164554) Show SMILES Clc1ccccc1-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C13H8ClN3O/c14-10-6-2-1-5-9(10)13-16-12(17-18-13)11-7-3-4-8-15-11/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	436	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395931 (CHEMBL2164558) Show SMILES Cc1cccc(c1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C14H11N3O/c1-10-5-4-6-11(9-10)14-16-13(17-18-14)12-7-2-3-8-15-12/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	443	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM48215 (2-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyr...) Show SMILES COc1cccc(c1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C14H11N3O2/c1-18-11-6-4-5-10(9-11)14-16-13(17-19-14)12-7-2-3-8-15-12/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395930 (CHEMBL2164559) Show SMILES FC(F)(F)Oc1cccc(c1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C14H8F3N3O2/c15-14(16,17)21-10-5-3-4-9(8-10)13-19-12(20-22-13)11-6-1-2-7-18-11/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15467 (4-[(3R)-3-{[2-(4-chlorophenyl)-2-oxoethyl]amino}bu...) Show SMILES C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H21ClN2O2/c1-13(2-3-14-4-6-16(7-5-14)19(21)24)22-12-18(23)15-8-10-17(20)11-9-15/h4-11,13,22H,2-3,12H2,1H3,(H2,21,24)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 1765-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.074 BindingDB Entry DOI: 10.7270/Q247483F
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395928 (CHEMBL2164539) Show SMILES Fc1cccc(c1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C13H8FN3O/c14-10-5-3-4-9(8-10)13-16-12(17-18-13)11-6-1-2-7-15-11/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	845	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395939 (CHEMBL2164548) Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ncccn1)C#N Show InChI InChI=1S/C13H6FN5O/c14-10-5-8(7-15)4-9(6-10)13-18-12(19-20-13)11-16-2-1-3-17-11/h1-6H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395932 (CHEMBL2164557) Show SMILES Clc1ccc(-c2nc(no2)-c2ccccn2)c(Cl)c1 Show InChI InChI=1S/C13H7Cl2N3O/c14-8-4-5-9(10(15)7-8)13-17-12(18-19-13)11-3-1-2-6-16-11/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395927 (CHEMBL2164540) Show SMILES NC(=O)c1ccccc1-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C14H10N4O2/c15-12(19)9-5-1-2-6-10(9)14-17-13(18-20-14)11-7-3-4-8-16-11/h1-8H,(H2,15,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15466 (4-[(3R)-3-{[2-(2-fluorophenyl)-2-oxoethyl]amino}bu...) Show SMILES C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccccc1F |r| Show InChI InChI=1S/C19H21FN2O2/c1-13(6-7-14-8-10-15(11-9-14)19(21)24)22-12-18(23)16-4-2-3-5-17(16)20/h2-5,8-11,13,22H,6-7,12H2,1H3,(H2,21,24)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 1765-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.074 BindingDB Entry DOI: 10.7270/Q247483F
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395938 (CHEMBL2164549) Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1cnccn1)C#N Show InChI InChI=1S/C13H6FN5O/c14-10-4-8(6-15)3-9(5-10)13-18-12(19-20-13)11-7-16-1-2-17-11/h1-5,7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395922 (CHEMBL2164552) Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H	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	6.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by IonWorks assay				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395925 (CHEMBL2164542) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C15H7F6N3O/c16-14(17,18)9-5-8(6-10(7-9)15(19,20)21)13-23-12(24-25-13)11-3-1-2-4-22-11/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM39076 (5-(3,4-dichlorophenyl)-3-(2-pyridinyl)-1,2,4-oxadi...) Show SMILES Clc1ccc(cc1Cl)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C13H7Cl2N3O/c14-9-5-4-8(7-10(9)15)13-17-12(18-19-13)11-3-1-2-6-16-11/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395934 (CHEMBL2164555) Show SMILES Clc1ccc(cc1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C13H8ClN3O/c14-10-6-4-9(5-7-10)13-16-12(17-18-13)11-3-1-2-8-15-11/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
AstraZeneca Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15468 (4-(3-{[2-(4-methylphenyl)-2-oxoethyl]amino}butyl)b...) Show SMILES CC(CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(C)cc1 Show InChI InChI=1S/C20H24N2O2/c1-14-3-9-17(10-4-14)19(23)13-22-15(2)5-6-16-7-11-18(12-8-16)20(21)24/h3-4,7-12,15,22H,5-6,13H2,1-2H3,(H2,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 1765-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.074 BindingDB Entry DOI: 10.7270/Q247483F
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395943 (CHEMBL2164544) Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccccn1)C#N Show InChI InChI=1S/C14H7FN4O/c15-11-6-9(8-16)5-10(7-11)14-18-13(19-20-14)12-3-1-2-4-17-12/h1-7H	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	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by IonWorks assay				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	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	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by IonWorks assay				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter in presence of 20 nM MPEP				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter in presence of 10 nM MPEP				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50395923 (CHEMBL2164550) Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H	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	n/a	9.40	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to mGluR5 in Sprague-Dawley rat striatum after 60 mins by autoradiographic analysis				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50084137 (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) Show SMILES Cc1cccc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST by scintillation counting				Bioorg Med Chem Lett 22: 6974-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.100 BindingDB Entry DOI: 10.7270/Q2BP03WH
					More data for this Ligand-Target Pair

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