Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50044623   

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
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50022759 (CHEMBL3298273) Show SMILES Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1 Show InChI InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50022759 (CHEMBL3298273) Show SMILES Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1 Show InChI InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50022759 (CHEMBL3298273) Show SMILES Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1 Show InChI InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50022759 (CHEMBL3298273) Show SMILES Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1 Show InChI InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022765 (CHEMBL3298465) Show SMILES Fc1cccc(OCc2ccc3C(=O)N(Cc4ccccc4)CCc3n2)c1 Show InChI InChI=1S/C22H19FN2O2/c23-17-7-4-8-19(13-17)27-15-18-9-10-20-21(24-18)11-12-25(22(20)26)14-16-5-2-1-3-6-16/h1-10,13H,11-12,14-15H2	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50022759 (CHEMBL3298273) Show SMILES Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1 Show InChI InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu1 receptor expressed in HEK293 cells assessed as glutamate-induced calcium mobilization treated 140...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50022759 (CHEMBL3298273) Show SMILES Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1 Show InChI InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu2 receptor expressed in HEK293 cells assessed as glutamate-induced GIRK channel-mediated thallium f...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Rattus norvegicus (Rat))	BDBM50022759 (CHEMBL3298273) Show SMILES Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1 Show InChI InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu4 receptor expressed in HEK293 cells assessed as glutamate-induced GIRK channel-mediated thallium f...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 6 (Rattus norvegicus (Rat))	BDBM50022759 (CHEMBL3298273) Show SMILES Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1 Show InChI InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu6 receptor expressed in HEK293 cells assessed as glutamate-induced GIRK channel-mediated thallium f...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 7 (Rattus norvegicus (Rat))	BDBM50022759 (CHEMBL3298273) Show SMILES Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1 Show InChI InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu7 receptor expressed in HEK293 cells assessed as L-AP4-induced GIRK channel-mediated thallium flux ...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 8 (Rattus norvegicus (Rat))	BDBM50022759 (CHEMBL3298273) Show SMILES Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1 Show InChI InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu8 receptor expressed in HEK293 cells assessed as glutamate-induced GIRK channel-mediated thallium f...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022767 (CHEMBL3297929) Show SMILES Fc1ccc(cc1)C(=O)N1CCc2ncc(OCc3ccccc3)cc2C1 Show InChI InChI=1S/C22H19FN2O2/c23-19-8-6-17(7-9-19)22(26)25-11-10-21-18(14-25)12-20(13-24-21)27-15-16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2	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	n/a	n/a	7.76E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022768 (CHEMBL3298284) Show SMILES Fc1cccc(COc2ccc3C(=O)N(Cc4ccccc4)CCc3n2)c1 Show InChI InChI=1S/C22H19FN2O2/c23-18-8-4-7-17(13-18)15-27-21-10-9-19-20(24-21)11-12-25(22(19)26)14-16-5-2-1-3-6-16/h1-10,13H,11-12,14-15H2	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	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022771 (CHEMBL3297925) Show SMILES Fc1ccc(OCc2cnc3CCN(Cc3c2)C(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C22H18F2N2O2/c23-18-3-1-16(2-4-18)22(27)26-10-9-21-17(13-26)11-15(12-25-21)14-28-20-7-5-19(24)6-8-20/h1-8,11-12H,9-10,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022770 (CHEMBL3298283) Show SMILES CC1(CN2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)COC1 Show InChI InChI=1S/C20H21FN2O3/c1-20(12-25-13-20)11-23-8-7-17-16(19(23)24)5-6-18(22-17)26-10-14-3-2-4-15(21)9-14/h2-6,9H,7-8,10-13H2,1H3	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	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022778 (CHEMBL3297927) Show SMILES Fc1cccc(COc2cnc3CCN(Cc3c2)C(=O)c2cccc(F)c2)c1 Show InChI InChI=1S/C22H18F2N2O2/c23-18-5-1-3-15(9-18)14-28-20-11-17-13-26(8-7-21(17)25-12-20)22(27)16-4-2-6-19(24)10-16/h1-6,9-12H,7-8,13-14H2	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	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022779 (CHEMBL3298272) Show SMILES Fc1ccccc1COc1ccc2C(=O)NCCc2n1 Show InChI InChI=1S/C15H13FN2O2/c16-12-4-2-1-3-10(12)9-20-14-6-5-11-13(18-14)7-8-17-15(11)19/h1-6H,7-9H2,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022780 (CHEMBL3298461) Show SMILES CC(C)CN1CCc2nc(COc3cccc(F)c3)ccc2C1=O Show InChI InChI=1S/C19H21FN2O2/c1-13(2)11-22-9-8-18-17(19(22)23)7-6-15(21-18)12-24-16-5-3-4-14(20)10-16/h3-7,10,13H,8-9,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022783 (CHEMBL3298271) Show SMILES O=C1NCCc2nc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C15H14N2O2/c18-15-12-6-7-14(17-13(12)8-9-16-15)19-10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,16,18)	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	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022797 (CHEMBL3298464) Show SMILES Fc1ccc(nc1)N1CCc2nc(COc3cccc(F)c3)ccc2C1=O Show InChI InChI=1S/C20H15F2N3O2/c21-13-2-1-3-16(10-13)27-12-15-5-6-17-18(24-15)8-9-25(20(17)26)19-7-4-14(22)11-23-19/h1-7,10-11H,8-9,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	589	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022798 (CHEMBL3297918) Show SMILES Fc1ccc(cc1)N1CCc2cc(COc3ccccc3)cnc2C1=O Show InChI InChI=1S/C21H17FN2O2/c22-17-6-8-18(9-7-17)24-11-10-16-12-15(13-23-20(16)21(24)25)14-26-19-4-2-1-3-5-19/h1-9,12-13H,10-11,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	537	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022813 (CHEMBL3298282) Show SMILES Fc1cccc(COc2ccc3C(=O)N(CC4CCC4)CCc3n2)c1 Show InChI InChI=1S/C20H21FN2O2/c21-16-6-2-5-15(11-16)13-25-19-8-7-17-18(22-19)9-10-23(20(17)24)12-14-3-1-4-14/h2,5-8,11,14H,1,3-4,9-10,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	447	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022814 (CHEMBL3297922) Show SMILES Fc1ccc(cc1)N1CCc2cc(COc3ccccc3)ncc2C1=O Show InChI InChI=1S/C21H17FN2O2/c22-16-6-8-18(9-7-16)24-11-10-15-12-17(23-13-20(15)21(24)25)14-26-19-4-2-1-3-5-19/h1-9,12-13H,10-11,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	407	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022759 (CHEMBL3298273) Show SMILES Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1 Show InChI InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)	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	n/a	n/a	224	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022816 (CHEMBL3298453) Show SMILES Fc1ccc(nc1)N1CCc2nc(OCc3cccc(F)c3)ccc2C1=O Show InChI InChI=1S/C20H15F2N3O2/c21-14-3-1-2-13(10-14)12-27-19-7-5-16-17(24-19)8-9-25(20(16)26)18-6-4-15(22)11-23-18/h1-7,10-11H,8-9,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	214	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022818 (CHEMBL3297750) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)ccc2C1=O Show InChI InChI=1S/C21H17FN2O2/c22-15-6-9-17(10-7-15)24-13-12-20-19(21(24)25)11-8-16(23-20)14-26-18-4-2-1-3-5-18/h1-11H,12-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022819 (CHEMBL3298452) Show SMILES Fc1ccc(cc1)N1CCc2nc(OCc3cccc(F)c3)ccc2C1=O Show InChI InChI=1S/C21H16F2N2O2/c22-15-4-6-17(7-5-15)25-11-10-19-18(21(25)26)8-9-20(24-19)27-13-14-2-1-3-16(23)12-14/h1-9,12H,10-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	117	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022820 (CHEMBL3298463) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3cccc(F)c3)ccc2C1=O Show InChI InChI=1S/C21H16F2N2O2/c22-14-4-7-17(8-5-14)25-11-10-20-19(21(25)26)9-6-16(24-20)13-27-18-3-1-2-15(23)12-18/h1-9,12H,10-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	98	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022821 (CHEMBL3298275) Show SMILES Clc1cccc(COc2ccc3C(=O)NCCc3n2)c1 Show InChI InChI=1S/C15H13ClN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	62	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022796 (CHEMBL3297923) Show SMILES Fc1ccc(cc1)C(=O)N1CCc2ncc(COc3ccccc3)cc2C1 Show InChI InChI=1S/C22H19FN2O2/c23-19-8-6-17(7-9-19)22(26)25-11-10-21-18(14-25)12-16(13-24-21)15-27-20-4-2-1-3-5-20/h1-9,12-13H,10-11,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022782 (CHEMBL3297924) Show SMILES Fc1ccc(cc1)C(=O)N1CCc2ncc(COc3cccc(F)c3)cc2C1 Show InChI InChI=1S/C22H18F2N2O2/c23-18-6-4-16(5-7-18)22(27)26-9-8-21-17(13-26)10-15(12-25-21)14-28-20-3-1-2-19(24)11-20/h1-7,10-12H,8-9,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022763 (CHEMBL3298462) Show SMILES Fc1cccc(OCc2ccc3C(=O)N(CC4CC4)CCc3n2)c1 Show InChI InChI=1S/C19H19FN2O2/c20-14-2-1-3-16(10-14)24-12-15-6-7-17-18(21-15)8-9-22(19(17)23)11-13-4-5-13/h1-3,6-7,10,13H,4-5,8-9,11-12H2	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022762 (CHEMBL3298459) Show SMILES Fc1cccc(OCc2ccc3C(=O)NCCc3n2)c1 Show InChI InChI=1S/C15H13FN2O2/c16-10-2-1-3-12(8-10)20-9-11-4-5-13-14(18-11)6-7-17-15(13)19/h1-5,8H,6-7,9H2,(H,17,19)	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022760 (CHEMBL3298458) Show SMILES O=C1NCCc2nc(COc3ccccc3)ccc12 Show InChI InChI=1S/C15H14N2O2/c18-15-13-7-6-11(17-14(13)8-9-16-15)10-19-12-4-2-1-3-5-12/h1-7H,8-10H2,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50022759 (CHEMBL3298273) Show SMILES Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1 Show InChI InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)	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	370	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at human mGlu5 receptor				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50022769 (CHEMBL3298456) Show SMILES O=C1N(Cc2ccccc2)CCc2nc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C22H20N2O2/c25-22-19-11-12-21(26-16-18-9-5-2-6-10-18)23-20(19)13-14-24(22)15-17-7-3-1-4-8-17/h1-12H,13-16H2	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	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				J Med Chem 57: 5620-37 (2014) Article DOI: 10.1021/jm500259z BindingDB Entry DOI: 10.7270/Q2736SHB
					More data for this Ligand-Target Pair