Compile Data Set for Download or QSAR

Found 2228 hits with Last Name = 'felts' and Initial = 'as'   

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))	BDBM50257064 (CHEMBL2386850) Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1 Show InChI InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGlu5 receptor expressed in HEK293A cell membranes after 1 hr by scintillatio...				J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]3methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGluR5				Bioorg Med Chem Lett 19: 6623-6 (2009) Article DOI: 10.1016/j.bmcl.2009.10.024 BindingDB Entry DOI: 10.7270/Q2TX3FHM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50442525 (CHEMBL2440659 | US8796295, Table 2: Compound: 1) Show SMILES Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1 Show InChI InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor allosteric binding site (unknown origin)				Bioorg Med Chem Lett 23: 5779-85 (2013) Article DOI: 10.1016/j.bmcl.2013.09.001 BindingDB Entry DOI: 10.7270/Q2X92CSQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50047700 (CHEMBL3314850) Show SMILES Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1 Show InChI InChI=1S/C14H9ClN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]methoxyPEPy from rat mGlu5 expressed in HEK293A cells after 1 hr by scintillation counting method				Bioorg Med Chem Lett 24: 3307-14 (2014) Article DOI: 10.1016/j.bmcl.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ZW1NJP
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (RAT)	BDBM50605085 (CHEMBL5204021) Show SMILES Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00192 BindingDB Entry DOI: 10.7270/Q23N27HG
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323286 (3-cyano-5-fluoro-N-m-tolylbenzamide | CHEMBL120920...) Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1 Show InChI InChI=1S/C15H11FN2O/c1-10-3-2-4-14(5-10)18-15(19)12-6-11(9-17)7-13(16)8-12/h2-8H,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323308 (3-cyano-5-fluoro-N-(4-methylthiazol-2-yl)benzamide...) Show SMILES Cc1csc(NC(=O)c2cc(F)cc(c2)C#N)n1 Show InChI InChI=1S/C12H8FN3OS/c1-7-6-18-12(15-7)16-11(17)9-2-8(5-14)3-10(13)4-9/h2-4,6H,1H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50311887 (6-bromo-N-(3-chlorophenyl)quinazolin-4-amine | CHE...) Show SMILES Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1 Show InChI InChI=1S/C14H9BrClN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]3methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGluR5				Bioorg Med Chem Lett 19: 6623-6 (2009) Article DOI: 10.1016/j.bmcl.2009.10.024 BindingDB Entry DOI: 10.7270/Q2TX3FHM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50258619 (3-Cyano-5-fluoro-N-(6-methylpyridin-2-yl)-benzamid...) Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1 Show InChI InChI=1S/C14H10FN3O/c1-9-3-2-4-13(17-9)18-14(19)11-5-10(8-16)6-12(15)7-11/h2-7H,1H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323289 (CHEMBL1209202 | N-(3-chlorophenyl)-3-cyano-5-fluor...) Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)c1)C#N Show InChI InChI=1S/C14H8ClFN2O/c15-11-2-1-3-13(7-11)18-14(19)10-4-9(8-17)5-12(16)6-10/h1-7H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	206	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50257064 (CHEMBL2386850) Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1 Show InChI InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...				J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50311876 (CHEMBL1075626 | N-(3-bromophenyl)-6-chloroquinazol...) Show SMILES Clc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H9BrClN3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	249	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]3methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGluR5				Bioorg Med Chem Lett 19: 6623-6 (2009) Article DOI: 10.1016/j.bmcl.2009.10.024 BindingDB Entry DOI: 10.7270/Q2TX3FHM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50257087 (CHEMBL4102569) Show SMILES Cc1cccnc1C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-11-15-14(12)10-9-13-7-3-2-4-8-13/h2-8,11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	388	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGlu5 receptor expressed in HEK293A cell membranes after 1 hr by scintillatio...				J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50311858 (CHEMBL1076333 | N-(3-bromophenyl)-6-fluoroquinazol...) Show SMILES Fc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H9BrFN3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	736	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]3methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGluR5				Bioorg Med Chem Lett 19: 6623-6 (2009) Article DOI: 10.1016/j.bmcl.2009.10.024 BindingDB Entry DOI: 10.7270/Q2TX3FHM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Binding affinity to wild type human COX2 expressed in insect cells using [1-14C]-arachidonic acid as substrate				ACS Med Chem Lett 4: 486-490 (2013) Article DOI: 10.1021/ml400066a BindingDB Entry DOI: 10.7270/Q28D005G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50426242 (CHEMBL2312346) Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11| Show InChI InChI=1S/C23H27NO4/c1-24-13-11-19(18-7-5-4-6-8-18)20(16-24)23(25)28-14-12-17-9-10-21(26-2)22(15-17)27-3/h4-10,15H,11-14,16H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00192 BindingDB Entry DOI: 10.7270/Q23N27HG
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50491628 (CHEMBL2386352) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(c(CC(O)=O)c2c1)C(F)(F)F Show InChI InChI=1S/C19H13ClF3NO4/c1-28-12-6-7-15-13(8-12)14(9-16(25)26)17(19(21,22)23)24(15)18(27)10-2-4-11(20)5-3-10/h2-8H,9H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Binding affinity to wild type human COX2 expressed in insect cells using [1-14C]-arachidonic acid as substrate				ACS Med Chem Lett 4: 486-490 (2013) Article DOI: 10.1021/ml400066a BindingDB Entry DOI: 10.7270/Q28D005G
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50426242 (CHEMBL2312346) Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11| Show InChI InChI=1S/C23H27NO4/c1-24-13-11-19(18-7-5-4-6-8-18)20(16-24)23(25)28-14-12-17-9-10-21(26-2)22(15-17)27-3/h4-10,15H,11-14,16H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.53E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00192 BindingDB Entry DOI: 10.7270/Q23N27HG
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50426242 (CHEMBL2312346) Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11| Show InChI InChI=1S/C23H27NO4/c1-24-13-11-19(18-7-5-4-6-8-18)20(16-24)23(25)28-14-12-17-9-10-21(26-2)22(15-17)27-3/h4-10,15H,11-14,16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00192 BindingDB Entry DOI: 10.7270/Q23N27HG
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50426242 (CHEMBL2312346) Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11| Show InChI InChI=1S/C23H27NO4/c1-24-13-11-19(18-7-5-4-6-8-18)20(16-24)23(25)28-14-12-17-9-10-21(26-2)22(15-17)27-3/h4-10,15H,11-14,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00192 BindingDB Entry DOI: 10.7270/Q23N27HG
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50426242 (CHEMBL2312346) Show SMILES COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11| Show InChI InChI=1S/C23H27NO4/c1-24-13-11-19(18-7-5-4-6-8-18)20(16-24)23(25)28-14-12-17-9-10-21(26-2)22(15-17)27-3/h4-10,15H,11-14,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00192 BindingDB Entry DOI: 10.7270/Q23N27HG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from recombinant human DAT expressed in CHOK1 cells after 3 hrs by scintillation counting method				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50560457 (CHEMBL4790396) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1csc2nccnc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127418 BindingDB Entry DOI: 10.7270/Q2WW7NDJ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50605085 (CHEMBL5204021) Show SMILES Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00192 BindingDB Entry DOI: 10.7270/Q23N27HG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50447893 (CHEMBL3114792) Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C23H28Cl2N2O3S/c1-3-15-31(29,30)27-13-11-23(12-14-27,18-7-5-4-6-8-18)17(2)26-22(28)20-10-9-19(24)16-21(20)25/h4-10,16-17H,3,11-15H2,1-2H3,(H,26,28)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake				Bioorg Med Chem Lett 24: 1067-70 (2014) Article DOI: 10.1016/j.bmcl.2014.01.013 BindingDB Entry DOI: 10.7270/Q2K64KK4
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50257058 (CHEMBL2386849) Show SMILES Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1ccc(F)cn1 Show InChI InChI=1S/C17H12F2N4O2/c1-10-4-13(25-14-5-12(19)7-20-9-14)6-15(22-10)17(24)23-16-3-2-11(18)8-21-16/h2-9H,1H3,(H,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...				J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50257058 (CHEMBL2386849) Show SMILES Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1ccc(F)cn1 Show InChI InChI=1S/C17H12F2N4O2/c1-10-4-13(25-14-5-12(19)7-20-9-14)6-15(22-10)17(24)23-16-3-2-11(18)8-21-16/h2-9H,1H3,(H,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...				J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50257041 (CHEMBL4077672) Show SMILES Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1cccc(F)n1 Show InChI InChI=1S/C17H12F2N4O2/c1-10-5-12(25-13-6-11(18)8-20-9-13)7-14(21-10)17(24)23-16-4-2-3-15(19)22-16/h2-9H,1H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...				J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50257041 (CHEMBL4077672) Show SMILES Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1cccc(F)n1 Show InChI InChI=1S/C17H12F2N4O2/c1-10-5-12(25-13-6-11(18)8-20-9-13)7-14(21-10)17(24)23-16-4-2-3-15(19)22-16/h2-9H,1H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...				J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50447910 (CHEMBL3114969) Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccc(Cl)cc1Cl)CC1CC1 |r| Show InChI InChI=1S/C21H24Cl2N4O3S/c1-26-10-19(25-12-26)31(29,30)27-8-16-17(9-27)21(16,7-13-2-3-13)11-24-20(28)15-5-4-14(22)6-18(15)23/h4-6,10,12-13,16-17H,2-3,7-9,11H2,1H3,(H,24,28)/t16-,17+,21-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake				Bioorg Med Chem Lett 24: 1067-70 (2014) Article DOI: 10.1016/j.bmcl.2014.01.013 BindingDB Entry DOI: 10.7270/Q2K64KK4
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50560480 (CHEMBL4779300) Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2COCCN2)c2ccccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127418 BindingDB Entry DOI: 10.7270/Q2WW7NDJ
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1A (Homo sapiens (Human))	BDBM50560467 (CHEMBL4788859) Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)ccc2n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127418 BindingDB Entry DOI: 10.7270/Q2WW7NDJ
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1A (Homo sapiens (Human))	BDBM50560477 (CHEMBL4742906) Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2ccccc2n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127418 BindingDB Entry DOI: 10.7270/Q2WW7NDJ
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1A (Homo sapiens (Human))	BDBM50560479 (CHEMBL4778971) Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2cc(F)cc(F)c2n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127418 BindingDB Entry DOI: 10.7270/Q2WW7NDJ
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50560477 (CHEMBL4742906) Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2ccccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127418 BindingDB Entry DOI: 10.7270/Q2WW7NDJ
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50560478 (CHEMBL4790557) Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2cc(F)ccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127418 BindingDB Entry DOI: 10.7270/Q2WW7NDJ
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50560479 (CHEMBL4778971) Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2cc(F)cc(F)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127418 BindingDB Entry DOI: 10.7270/Q2WW7NDJ
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1A (Homo sapiens (Human))	BDBM50560468 (CHEMBL4786529) Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)cc(F)c2n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127418 BindingDB Entry DOI: 10.7270/Q2WW7NDJ
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50560481 (CHEMBL4746124) Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2COCCN2)c2cc(F)ccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127418 BindingDB Entry DOI: 10.7270/Q2WW7NDJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM50560477 (CHEMBL4742906) Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2ccccc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK1 using casein as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127418 BindingDB Entry DOI: 10.7270/Q2WW7NDJ
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1A (Homo sapiens (Human))	BDBM50560466 (CHEMBL4740381) Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127418 BindingDB Entry DOI: 10.7270/Q2WW7NDJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50447890 (CHEMBL3114971) Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccccc1C(F)(F)F)CC1CC1 |r| Show InChI InChI=1S/C22H25F3N4O3S/c1-28-11-19(27-13-28)33(31,32)29-9-17-18(10-29)21(17,8-14-6-7-14)12-26-20(30)15-4-2-3-5-16(15)22(23,24)25/h2-5,11,13-14,17-18H,6-10,12H2,1H3,(H,26,30)/t17-,18+,21-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake				Bioorg Med Chem Lett 24: 1067-70 (2014) Article DOI: 10.1016/j.bmcl.2014.01.013 BindingDB Entry DOI: 10.7270/Q2K64KK4
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50560482 (CHEMBL4753476) Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2COCCN2)c2cc(F)cc(F)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127418 BindingDB Entry DOI: 10.7270/Q2WW7NDJ
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50560472 (CHEMBL4741939) Show SMILES CC(C)N1CCN(CC1)c1ccc(cn1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127418 BindingDB Entry DOI: 10.7270/Q2WW7NDJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50257059 (CHEMBL4082854) Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C16H12ClN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...				J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50257059 (CHEMBL4082854) Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C16H12ClN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...				J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM128279 (US8796295, Table 2: Compound: 3) Show SMILES Fc1cccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1 Show InChI InChI=1S/C16H10ClFN4O2/c17-11-4-10(16(23)22-15-3-1-2-14(18)21-15)5-12(6-11)24-13-7-19-9-20-8-13/h1-9H,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The utility of the compounds in accordance with the present invention as negative allosteric modulators of metabotropic glutamate receptor activity, ...				US Patent US8796295 (2014) BindingDB Entry DOI: 10.7270/Q2542M8B
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50257080 (CHEMBL4096818) Show SMILES Cc1cc(Oc2cncc(Cl)c2)cc(n1)C(=O)Nc1ccc(F)cn1 Show InChI InChI=1S/C17H12ClFN4O2/c1-10-4-13(25-14-5-11(18)7-20-9-14)6-15(22-10)17(24)23-16-3-2-12(19)8-21-16/h2-9H,1H3,(H,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...				J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50257080 (CHEMBL4096818) Show SMILES Cc1cc(Oc2cncc(Cl)c2)cc(n1)C(=O)Nc1ccc(F)cn1 Show InChI InChI=1S/C17H12ClFN4O2/c1-10-4-13(25-14-5-11(18)7-20-9-14)6-15(22-10)17(24)23-16-3-2-12(19)8-21-16/h2-9H,1H3,(H,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...				J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50457526 (CHEMBL4213773) Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cc3cccnc23)nc1 Show InChI InChI=1S/C20H12F2N4O2/c21-13-3-4-18(25-10-13)26-20(27)17-8-15(6-12-2-1-5-24-19(12)17)28-16-7-14(22)9-23-11-16/h1-11H,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Negative allosteric modulator activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of EC80 glutamate-induced Ca2+ mobiliz...				Bioorg Med Chem Lett 28: 1679-1685 (2018) Article DOI: 10.1016/j.bmcl.2018.04.053 BindingDB Entry DOI: 10.7270/Q2RV0R96
					More data for this Ligand-Target Pair

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