Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50048025   

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))	BDBM50169542 (CHEMBL3804846) Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C24H27N7O2/c25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50169542 (CHEMBL3804846) Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C24H27N7O2/c25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-MethoxyPEPy from human mGlu5 receptor expressed in HEK293 cell membranes after 8 hrs by micro beta scintillation counting analys...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50201541 (CHEMBL3966581) Show SMILES Fc1cccc(c1)-c1nc2[nH]nc(-c3cccc(Cl)c3)c2c(C2CC(F)(F)C2)c1C#N Show InChI InChI=1S/C23H14ClF3N4/c24-15-5-1-3-12(7-15)21-19-18(14-9-23(26,27)10-14)17(11-28)20(29-22(19)31-30-21)13-4-2-6-16(25)8-13/h1-8,14H,9-10H2,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50201558 (CHEMBL3895289) Show SMILES Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12 Show InChI InChI=1S/C22H15ClN4/c23-16-8-4-7-15(11-16)21-19-18(13-9-10-13)17(12-24)20(25-22(19)27-26-21)14-5-2-1-3-6-14/h1-8,11,13H,9-10H2,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201558 (CHEMBL3895289) Show SMILES Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12 Show InChI InChI=1S/C22H15ClN4/c23-16-8-4-7-15(11-16)21-19-18(13-9-10-13)17(12-24)20(25-22(19)27-26-21)14-5-2-1-3-6-14/h1-8,11,13H,9-10H2,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-MethoxyPEPy from human mGlu5 receptor expressed in HEK293 cell membranes after 8 hrs by micro beta scintillation counting analys...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201538 (CHEMBL3891001) Show SMILES COc1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12 Show InChI InChI=1S/C23H17ClN4O/c1-29-18-11-15(9-10-17(18)24)22-20-19(13-7-8-13)16(12-25)21(26-23(20)28-27-22)14-5-3-2-4-6-14/h2-6,9-11,13H,7-8H2,1H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-MethoxyPEPy from human mGlu5 receptor expressed in HEK293 cell membranes after 8 hrs by micro beta scintillation counting analys...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201541 (CHEMBL3966581) Show SMILES Fc1cccc(c1)-c1nc2[nH]nc(-c3cccc(Cl)c3)c2c(C2CC(F)(F)C2)c1C#N Show InChI InChI=1S/C23H14ClF3N4/c24-15-5-1-3-12(7-15)21-19-18(14-9-23(26,27)10-14)17(11-28)20(29-22(19)31-30-21)13-4-2-6-16(25)8-13/h1-8,14H,9-10H2,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-MethoxyPEPy from human mGlu5 receptor expressed in HEK293 cell membranes after 8 hrs by micro beta scintillation counting analys...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50201538 (CHEMBL3891001) Show SMILES COc1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12 Show InChI InChI=1S/C23H17ClN4O/c1-29-18-11-15(9-10-17(18)24)22-20-19(13-7-8-13)16(12-25)21(26-23(20)28-27-22)14-5-3-2-4-6-14/h2-6,9-11,13H,7-8H2,1H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50156070 (CHEMBL366217 | N-(4-Chloro-2-[(1,3-dioxo-1,3-dihyd...) Show SMILES Oc1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C22H15ClN2O4/c23-14-9-10-18(24-20(27)17-7-3-4-8-19(17)26)13(11-14)12-25-21(28)15-5-1-2-6-16(15)22(25)29/h1-11,26H,12H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50156070 (CHEMBL366217 | N-(4-Chloro-2-[(1,3-dioxo-1,3-dihyd...) Show SMILES Oc1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C22H15ClN2O4/c23-14-9-10-18(24-20(27)17-7-3-4-8-19(17)26)13(11-14)12-25-21(28)15-5-1-2-6-16(15)22(25)29/h1-11,26H,12H2,(H,24,27)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-MethoxyPEPy from human mGlu5 receptor expressed in HEK293 cell membranes after 8 hrs by micro beta scintillation counting analys...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201548 (CHEMBL3910009) Show SMILES Clc1ccc(cc1)-c1nc2[nH]nc(-c3ccccc3)c2c(-c2ccccc2)c1C#N Show InChI InChI=1S/C25H15ClN4/c26-19-13-11-18(12-14-19)23-20(15-27)21(16-7-3-1-4-8-16)22-24(29-30-25(22)28-23)17-9-5-2-6-10-17/h1-14H,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201549 (CHEMBL3953326) Show SMILES N#Cc1c(nc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1)C1CC1 Show InChI InChI=1S/C22H16N4/c23-13-17-18(14-7-3-1-4-8-14)19-21(15-9-5-2-6-10-15)25-26-22(19)24-20(17)16-11-12-16/h1-10,16H,11-12H2,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201550 (CHEMBL3920005) Show SMILES CC(C)(C)c1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12 Show InChI InChI=1S/C23H20N4/c1-23(2,3)21-19-18(15-10-6-4-7-11-15)17(14-24)20(25-22(19)27-26-21)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	83	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201551 (CHEMBL3947791) Show SMILES CC(C)c1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12 Show InChI InChI=1S/C22H18N4/c1-14(2)20-19-18(15-9-5-3-6-10-15)17(13-23)21(24-22(19)26-25-20)16-11-7-4-8-12-16/h3-12,14H,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201555 (CHEMBL3902020) Show SMILES CC(C)(C)c1n[nH]c2nc(-c3ccccc3)c(C#N)c(CCC(F)(F)F)c12 Show InChI InChI=1S/C20H19F3N4/c1-19(2,3)17-15-13(9-10-20(21,22)23)14(11-24)16(25-18(15)27-26-17)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	51	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201556 (CHEMBL3980257) Show SMILES Fc1ccc(cc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12 Show InChI InChI=1S/C22H14ClFN4/c23-16-10-14(8-9-17(16)24)21-19-18(12-6-7-12)15(11-25)20(26-22(19)28-27-21)13-4-2-1-3-5-13/h1-5,8-10,12H,6-7H2,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201557 (CHEMBL3951341) Show SMILES FC(F)(F)c1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12 Show InChI InChI=1S/C23H14ClF3N4/c24-17-9-8-14(10-16(17)23(25,26)27)21-19-18(12-6-7-12)15(11-28)20(29-22(19)31-30-21)13-4-2-1-3-5-13/h1-5,8-10,12H,6-7H2,(H,29,30,31)	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	n/a	47	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201559 (CHEMBL3928906) Show SMILES Clc1ccc(cc1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12 Show InChI InChI=1S/C25H15ClN4/c26-19-13-11-18(12-14-19)24-22-21(16-7-3-1-4-8-16)20(15-27)23(28-25(22)30-29-24)17-9-5-2-6-10-17/h1-14H,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201560 (CHEMBL3891160) Show SMILES N#Cc1c(nc2[nH]cc(-c3ccccc3)c2c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C26H17N3/c27-16-21-23(19-12-6-2-7-13-19)24-22(18-10-4-1-5-11-18)17-28-26(24)29-25(21)20-14-8-3-9-15-20/h1-15,17H,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201561 (CHEMBL3928135) Show SMILES Clc1cccc(c1)-c1nc2[nH]nc(-c3ccccc3)c2c(-c2ccccc2)c1C#N Show InChI InChI=1S/C25H15ClN4/c26-19-13-7-12-18(14-19)23-20(15-27)21(16-8-3-1-4-9-16)22-24(29-30-25(22)28-23)17-10-5-2-6-11-17/h1-14H,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201562 (CHEMBL3911049) Show SMILES N#Cc1c(nc2[nH]nc(C3CC3)c2c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H16N4/c23-13-17-18(14-7-3-1-4-8-14)19-21(16-11-12-16)25-26-22(19)24-20(17)15-9-5-2-6-10-15/h1-10,16H,11-12H2,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201558 (CHEMBL3895289) Show SMILES Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12 Show InChI InChI=1S/C22H15ClN4/c23-16-8-4-7-15(11-16)21-19-18(13-9-10-13)17(12-24)20(25-22(19)27-26-21)14-5-2-1-3-6-14/h1-8,11,13H,9-10H2,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201563 (CHEMBL3920063) Show SMILES CCCc1c(C#N)c(nc2[nH]nc(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C22H18N4/c1-2-9-17-18(14-23)20(15-10-5-3-6-11-15)24-22-19(17)21(25-26-22)16-12-7-4-8-13-16/h3-8,10-13H,2,9H2,1H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201547 (CHEMBL3980422) Show SMILES c1ccc(cc1)-c1n[nH]c2nc(cc(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C24H17N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)23(26-27-24)19-14-8-3-9-15-19/h1-16H,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201541 (CHEMBL3966581) Show SMILES Fc1cccc(c1)-c1nc2[nH]nc(-c3cccc(Cl)c3)c2c(C2CC(F)(F)C2)c1C#N Show InChI InChI=1S/C23H14ClF3N4/c24-15-5-1-3-12(7-15)21-19-18(14-9-23(26,27)10-14)17(11-28)20(29-22(19)31-30-21)13-4-2-6-16(25)8-13/h1-8,14H,9-10H2,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	71	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201546 (CHEMBL3919241) Show SMILES Cn1nc(-c2ccccc2)c2c(-c3ccccc3)c(C#N)c(nc12)-c1ccccc1 Show InChI InChI=1S/C26H18N4/c1-30-26-23(25(29-30)20-15-9-4-10-16-20)22(18-11-5-2-6-12-18)21(17-27)24(28-26)19-13-7-3-8-14-19/h2-16H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201544 (CHEMBL3972213) Show SMILES N#Cc1c(nc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H16N4/c26-16-20-21(17-10-4-1-5-11-17)22-24(19-14-8-3-9-15-19)28-29-25(22)27-23(20)18-12-6-2-7-13-18/h1-15H,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201543 (CHEMBL3937112) Show SMILES Fc1c(nc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H16FN3/c25-21-19(16-10-4-1-5-11-16)20-22(17-12-6-2-7-13-17)27-28-24(20)26-23(21)18-14-8-3-9-15-18/h1-15H,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201542 (CHEMBL3956458) Show SMILES Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12 Show InChI InChI=1S/C25H15ClN4/c26-19-13-7-12-18(14-19)24-22-21(16-8-3-1-4-9-16)20(15-27)23(28-25(22)30-29-24)17-10-5-2-6-11-17/h1-14H,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	69	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201538 (CHEMBL3891001) Show SMILES COc1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12 Show InChI InChI=1S/C23H17ClN4O/c1-29-18-11-15(9-10-17(18)24)22-20-19(13-7-8-13)16(12-25)21(26-23(20)28-27-22)14-5-3-2-4-6-14/h2-6,9-11,13H,7-8H2,1H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201540 (CHEMBL3929981) Show SMILES FC1(F)CC(C1)c1c(C#N)c(nc2[nH]nc(-c3cccc(Cl)c3)c12)-c1ccccc1 Show InChI InChI=1S/C23H15ClF2N4/c24-16-8-4-7-14(9-16)21-19-18(15-10-23(25,26)11-15)17(12-27)20(28-22(19)30-29-21)13-5-2-1-3-6-13/h1-9,15H,10-11H2,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201539 (CHEMBL3892904) Show SMILES N#Cc1c(nc2[nH]nc(-c3ccccc3)c2c1C1CC1)-c1ccccc1 Show InChI InChI=1S/C22H16N4/c23-13-17-18(14-11-12-14)19-21(16-9-5-2-6-10-16)25-26-22(19)24-20(17)15-7-3-1-4-8-15/h1-10,14H,11-12H2,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201537 (CHEMBL3910313) Show SMILES N#Cc1c(cc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C26H17N3/c27-17-22-21(18-10-4-1-5-11-18)16-23-25(24(22)19-12-6-2-7-13-19)26(29-28-23)20-14-8-3-9-15-20/h1-16H,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201553 (CHEMBL3939007) Show SMILES Cc1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12 Show InChI InChI=1S/C20H14N4/c1-13-17-18(14-8-4-2-5-9-14)16(12-21)19(22-20(17)24-23-13)15-10-6-3-7-11-15/h2-11H,1H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	530	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair