Compile Data Set for Download or QSAR

Found 91 hits Enz. Inhib. hit(s) with all data for entry = 6072   

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))	BDBM107221 (US8598345, Table 1-7) Show SMILES Cc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1 Show InChI InChI=1S/C17H14N4O2/c1-12-4-2-6-16(20-12)21-17(22)15-10-13(7-9-19-15)23-14-5-3-8-18-11-14/h2-11H,1H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM107262 (US8598345, 204 | US8598345, Table 1-48/2-8) Show SMILES Cc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1 Show InChI InChI=1S/C16H13N5O2/c1-11-3-2-4-15(20-11)21-16(22)14-7-12(5-6-19-14)23-13-8-17-10-18-9-13/h2-10H,1H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107262 (US8598345, 204 | US8598345, Table 1-48/2-8) Show SMILES Cc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1 Show InChI InChI=1S/C16H13N5O2/c1-11-3-2-4-15(20-11)21-16(22)14-7-12(5-6-19-14)23-13-8-17-10-18-9-13/h2-10H,1H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM107244 (US8598345, 200 | US8598345, Table 1-30/2-4) Show SMILES Cc1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1 Show InChI InChI=1S/C14H11N5O2S/c1-9-7-22-14(18-9)19-13(20)12-4-10(2-3-17-12)21-11-5-15-8-16-6-11/h2-8H,1H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107231 (US8598345, Table 1-17) Show SMILES O=C(Nc1ccccn1)c1cc(Oc2cccnc2)ccn1 Show InChI InChI=1S/C16H12N4O2/c21-16(20-15-5-1-2-8-19-15)14-10-12(6-9-18-14)22-13-4-3-7-17-11-13/h1-11H,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM107261 (US8598345, 203 | US8598345, Table 1-48/2-7) Show SMILES O=C(Nc1ccccn1)c1cc(Oc2cncnc2)ccn1 Show InChI InChI=1S/C15H11N5O2/c21-15(20-14-3-1-2-5-19-14)13-7-11(4-6-18-13)22-12-8-16-10-17-9-12/h1-10H,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107224 (US8598345, 198 | US8598345, Table 1-10/2-2) Show SMILES Cc1csc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1 Show InChI InChI=1S/C15H12N4O2S/c1-10-9-22-15(18-10)19-14(20)13-7-11(4-6-17-13)21-12-3-2-5-16-8-12/h2-9H,1H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM107224 (US8598345, 198 | US8598345, Table 1-10/2-2) Show SMILES Cc1csc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1 Show InChI InChI=1S/C15H12N4O2S/c1-10-9-22-15(18-10)19-14(20)13-7-11(4-6-17-13)21-12-3-2-5-16-8-12/h2-9H,1H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107261 (US8598345, 203 | US8598345, Table 1-48/2-7) Show SMILES O=C(Nc1ccccn1)c1cc(Oc2cncnc2)ccn1 Show InChI InChI=1S/C15H11N5O2/c21-15(20-14-3-1-2-5-19-14)13-7-11(4-6-18-13)22-12-8-16-10-17-9-12/h1-10H,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107273 (US8598345, 207 | US8598345, Table 1-59/2-11) Show SMILES Fc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1 Show InChI InChI=1S/C15H10FN5O2/c16-13-2-1-3-14(20-13)21-15(22)12-6-10(4-5-19-12)23-11-7-17-9-18-8-11/h1-9H,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107266 (US8598345, 208 | US8598345, Table 1-52/2-12) Show SMILES Clc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1 Show InChI InChI=1S/C15H10ClN5O2/c16-13-2-1-3-14(20-13)21-15(22)12-6-10(4-5-19-12)23-11-7-17-9-18-8-11/h1-9H,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM107273 (US8598345, 207 | US8598345, Table 1-59/2-11) Show SMILES Fc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1 Show InChI InChI=1S/C15H10FN5O2/c16-13-2-1-3-14(20-13)21-15(22)12-6-10(4-5-19-12)23-11-7-17-9-18-8-11/h1-9H,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107222 (US8598345, Table 1-8) Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cccnc3)ccn2)nc1 Show InChI InChI=1S/C16H11FN4O2/c17-11-3-4-15(20-9-11)21-16(22)14-8-12(5-7-19-14)23-13-2-1-6-18-10-13/h1-10H,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107244 (US8598345, 200 | US8598345, Table 1-30/2-4) Show SMILES Cc1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1 Show InChI InChI=1S/C14H11N5O2S/c1-9-7-22-14(18-9)19-13(20)12-4-10(2-3-17-12)21-11-5-15-8-16-6-11/h2-8H,1H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM107271 (US8598345, 206 | US8598345, Table 1-57/2-10) Show SMILES Fc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1 Show InChI InChI=1S/C15H10FN5O2/c16-10-1-3-20-14(5-10)21-15(22)13-6-11(2-4-19-13)23-12-7-17-9-18-8-12/h1-9H,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107271 (US8598345, 206 | US8598345, Table 1-57/2-10) Show SMILES Fc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1 Show InChI InChI=1S/C15H10FN5O2/c16-10-1-3-20-14(5-10)21-15(22)13-6-11(2-4-19-13)23-12-7-17-9-18-8-12/h1-9H,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	216	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107232 (US8598345, Table 1-18) Show SMILES CCc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1 Show InChI InChI=1S/C18H16N4O2/c1-2-13-5-3-7-17(21-13)22-18(23)16-11-14(8-10-20-16)24-15-6-4-9-19-12-15/h3-12H,2H2,1H3,(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	226	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM107266 (US8598345, 208 | US8598345, Table 1-52/2-12) Show SMILES Clc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1 Show InChI InChI=1S/C15H10ClN5O2/c16-13-2-1-3-14(20-13)21-15(22)12-6-10(4-5-19-12)23-11-7-17-9-18-8-11/h1-9H,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107216 (US8598345, 197 | US8598345, Table 1-2/2-1) Show SMILES Clc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1 Show InChI InChI=1S/C17H12ClN3O2/c18-12-3-1-4-13(9-12)21-17(22)16-10-14(6-8-20-16)23-15-5-2-7-19-11-15/h1-11H,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	358	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM107263 (US8598345, 205 | US8598345, Table 1-49/2-9) Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncnc3)ccn2)nc1 Show InChI InChI=1S/C15H10FN5O2/c16-10-1-2-14(20-6-10)21-15(22)13-5-11(3-4-19-13)23-12-7-17-9-18-8-12/h1-9H,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	364	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107236 (US8598345, Table 1-22) Show SMILES COc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1 Show InChI InChI=1S/C17H14N4O3/c1-23-16-6-2-5-15(20-16)21-17(22)14-10-12(7-9-19-14)24-13-4-3-8-18-11-13/h2-11H,1H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	379	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107263 (US8598345, 205 | US8598345, Table 1-49/2-9) Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncnc3)ccn2)nc1 Show InChI InChI=1S/C15H10FN5O2/c16-10-1-2-14(20-6-10)21-15(22)13-5-11(3-4-19-13)23-12-7-17-9-18-8-12/h1-9H,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	389	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM107216 (US8598345, 197 | US8598345, Table 1-2/2-1) Show SMILES Clc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1 Show InChI InChI=1S/C17H12ClN3O2/c18-12-3-1-4-13(9-12)21-17(22)16-10-14(6-8-20-16)23-15-5-2-7-19-11-15/h1-11H,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107223 (US8598345, Table 1-9) Show SMILES Cc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1 Show InChI InChI=1S/C18H15N3O2/c1-13-4-2-5-14(10-13)21-18(22)17-11-15(7-9-20-17)23-16-6-3-8-19-12-16/h2-12H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107291 (US8598345, Table 1-77) Show SMILES Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F Show InChI InChI=1S/C16H12FN5O2/c1-10-13(17)2-3-15(21-10)22-16(23)14-6-11(4-5-20-14)24-12-7-18-9-19-8-12/h2-9H,1H3,(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	746	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM107274 (US8598345, 210 | US8598345, Table 1-60/2-14) Show SMILES Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1F Show InChI InChI=1S/C14H10FN5O2S/c1-8-12(15)23-14(19-8)20-13(21)11-4-9(2-3-18-11)22-10-5-16-7-17-6-10/h2-7H,1H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	943	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107274 (US8598345, 210 | US8598345, Table 1-60/2-14) Show SMILES Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1F Show InChI InChI=1S/C14H10FN5O2S/c1-8-12(15)23-14(19-8)20-13(21)11-4-9(2-3-18-11)22-10-5-16-7-17-6-10/h2-7H,1H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	981	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107230 (US8598345, Table 1-16) Show SMILES Clc1cc(NC(=O)c2cc(Oc3cccnc3)ccn2)ccn1 Show InChI InChI=1S/C16H11ClN4O2/c17-15-8-11(3-6-20-15)21-16(22)14-9-12(4-7-19-14)23-13-2-1-5-18-10-13/h1-10H,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107245 (US8598345, Table 1-31) Show SMILES FC(F)(F)c1csc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1 Show InChI InChI=1S/C15H9F3N4O2S/c16-15(17,18)12-8-25-14(21-12)22-13(23)11-6-9(3-5-20-11)24-10-2-1-4-19-7-10/h1-8H,(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	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107279 (US8598345, Table 1-65) Show SMILES Cc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1 Show InChI InChI=1S/C16H13N5O2/c1-11-2-4-20-15(6-11)21-16(22)14-7-12(3-5-19-14)23-13-8-17-10-18-9-13/h2-10H,1H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107234 (US8598345, Table 1-20) Show SMILES Cc1cc(NC(=O)c2cc(Oc3cccnc3)ccn2)ccn1 Show InChI InChI=1S/C17H14N4O2/c1-12-9-13(4-7-19-12)21-17(22)16-10-14(5-8-20-16)23-15-3-2-6-18-11-15/h2-11H,1H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM107249 (US8598345, 201 | US8598345, Table 1-35/2-5) Show SMILES CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1nc(C)cs1 Show InChI InChI=1S/C15H14N6OS/c1-10-8-23-15(19-10)20-14(22)13-5-11(3-4-18-13)21(2)12-6-16-9-17-7-12/h3-9H,1-2H3,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107229 (US8598345, Table 1-15) Show SMILES Clc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1 Show InChI InChI=1S/C16H11ClN4O2/c17-14-4-1-5-15(20-14)21-16(22)13-9-11(6-8-19-13)23-12-3-2-7-18-10-12/h1-10H,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107249 (US8598345, 201 | US8598345, Table 1-35/2-5) Show SMILES CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1nc(C)cs1 Show InChI InChI=1S/C15H14N6OS/c1-10-8-23-15(19-10)20-14(22)13-5-11(3-4-18-13)21(2)12-6-16-9-17-7-12/h3-9H,1-2H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107289 (US8598345, Table 1-75) Show SMILES COc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1 Show InChI InChI=1S/C16H13N5O3/c1-23-15-4-2-3-14(20-15)21-16(22)13-7-11(5-6-19-13)24-12-8-17-10-18-9-12/h2-10H,1H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM107258 (US8598345, 202 | US8598345, Table 1-44/2-6) Show SMILES CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C17H16N6O/c1-12-4-3-5-16(21-12)22-17(24)15-8-13(6-7-20-15)23(2)14-9-18-11-19-10-14/h3-11H,1-2H3,(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM107242 (US8598345, 199 | US8598345, Table 1-28/2-3) Show SMILES Cc1csc(NC(=O)c2cncc(Oc3cccnc3)c2)n1 Show InChI InChI=1S/C15H12N4O2S/c1-10-9-22-15(18-10)19-14(20)11-5-13(8-17-6-11)21-12-3-2-4-16-7-12/h2-9H,1H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107270 (US8598345, Table 1-56) Show SMILES FCc1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1 Show InChI InChI=1S/C14H10FN5O2S/c15-4-9-7-23-14(19-9)20-13(21)12-3-10(1-2-18-12)22-11-5-16-8-17-6-11/h1-3,5-8H,4H2,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107267 (US8598345, Table 1-53) Show SMILES Clc1ccc(NC(=O)c2cc(Oc3cncnc3)ccn2)nc1 Show InChI InChI=1S/C15H10ClN5O2/c16-10-1-2-14(20-6-10)21-15(22)13-5-11(3-4-19-13)23-12-7-17-9-18-8-12/h1-9H,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107246 (US8598345, Table 1-32) Show SMILES O=C(Nc1nccs1)c1cc(Oc2cncnc2)ccn1 Show InChI InChI=1S/C13H9N5O2S/c19-12(18-13-17-3-4-21-13)11-5-9(1-2-16-11)20-10-6-14-8-15-7-10/h1-8H,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107243 (US8598345, Table 1-29) Show SMILES O=C(Nc1nc(cs1)C#N)c1cc(Oc2cccnc2)ccn1 Show InChI InChI=1S/C15H9N5O2S/c16-7-10-9-23-15(19-10)20-14(21)13-6-11(3-5-18-13)22-12-2-1-4-17-8-12/h1-6,8-9H,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107248 (US8598345, Table 1-34) Show SMILES CN(c1cccnc1)c1ccnc(c1)C(=O)Nc1nc(C)cs1 Show InChI InChI=1S/C16H15N5OS/c1-11-10-23-16(19-11)20-15(22)14-8-12(5-7-18-14)21(2)13-4-3-6-17-9-13/h3-10H,1-2H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107220 (US8598345, Table 1-6) Show SMILES Fc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1 Show InChI InChI=1S/C17H12FN3O2/c18-12-3-1-4-13(9-12)21-17(22)16-10-14(6-8-20-16)23-15-5-2-7-19-11-15/h1-11H,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107215 (US8598345, Table 1-1) Show SMILES O=C(Nc1ccccc1)c1cc(Oc2cccnc2)ccn1 Show InChI InChI=1S/C17H13N3O2/c21-17(20-13-5-2-1-3-6-13)16-11-14(8-10-19-16)22-15-7-4-9-18-12-15/h1-12H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107228 (US8598345, Table 1-14) Show SMILES Cc1cnc(NC(=O)c2cc(Oc3cccnc3)ccn2)s1 Show InChI InChI=1S/C15H12N4O2S/c1-10-8-18-15(22-10)19-14(20)13-7-11(4-6-17-13)21-12-3-2-5-16-9-12/h2-9H,1H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107219 (US8598345, Table 1-5) Show SMILES Cn1ccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1 Show InChI InChI=1S/C15H13N5O2/c1-20-8-5-14(19-20)18-15(21)13-9-11(4-7-17-13)22-12-3-2-6-16-10-12/h2-10H,1H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107237 (US8598345, Table 1-23) Show SMILES O=C(Nc1ccncn1)c1cc(Oc2cccnc2)ccn1 Show InChI InChI=1S/C15H11N5O2/c21-15(20-14-4-6-17-10-19-14)13-8-11(3-7-18-13)22-12-2-1-5-16-9-12/h1-10H,(H,17,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107217 (US8598345, Table 1-3) Show SMILES FC(F)(F)c1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1 Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)12-3-1-4-13(9-12)24-17(25)16-10-14(6-8-23-16)26-15-5-2-7-22-11-15/h1-11H,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107258 (US8598345, 202 | US8598345, Table 1-44/2-6) Show SMILES CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C17H16N6O/c1-12-4-3-5-16(21-12)22-17(24)15-8-13(6-7-20-15)23(2)14-9-18-11-19-10-14/h3-11H,1-2H3,(H,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107247 (US8598345, Table 1-33) Show SMILES CN(c1cccnc1)c1ccnc(c1)C(=O)Nc1nccs1 Show InChI InChI=1S/C15H13N5OS/c1-20(12-3-2-5-16-10-12)11-4-6-17-13(9-11)14(21)19-15-18-7-8-22-15/h2-10H,1H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair

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