Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 2592   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113468 (CHEMBL3603915 | US10246432, Example 15 | US1058411...) Show SMILES Fc1c(Cl)cc(cc1-c1cc(ncn1)-n1cccn1)C#N Show InChI InChI=1S/C14H7ClFN5/c15-11-5-9(7-17)4-10(14(11)16)12-6-13(19-8-18-12)21-3-1-2-20-21/h1-6,8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113476 (CHEMBL3603923 | US10246432, Example 17 | US1058411...) Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	0.537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113477 (CHEMBL3603924 | US10246432, Example 3 | US10584111...) Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-c1ccc(cn1)C#N)C#N Show InChI InChI=1S/C17H8ClN5/c18-14-4-12(8-20)3-13(5-14)16-6-17(23-10-22-16)15-2-1-11(7-19)9-21-15/h1-6,9-10H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.692	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113468 (CHEMBL3603915 | US10246432, Example 15 | US1058411...) Show SMILES Fc1c(Cl)cc(cc1-c1cc(ncn1)-n1cccn1)C#N Show InChI InChI=1S/C14H7ClFN5/c15-11-5-9(7-17)4-10(14(11)16)12-6-13(19-8-18-12)21-3-1-2-20-21/h1-6,8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	0.832	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113479 (CHEMBL3603926 | US10246432, Example 22 | US1058411...) Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(cc(Cl)c1F)C#N Show InChI InChI=1S/C16H7ClF2N4/c17-12-4-9(6-20)3-11(16(12)19)14-5-15(23-8-22-14)13-2-1-10(18)7-21-13/h1-5,7-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.891	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113473 (CHEMBL3603920 | US10246432, Example 1 | US10584111...) Show SMILES Fc1c(Cl)cc(cc1-c1cc(ncn1)-c1ccccn1)C#N Show InChI InChI=1S/C16H8ClFN4/c17-12-6-10(8-19)5-11(16(12)18)14-7-15(22-9-21-14)13-3-1-2-4-20-13/h1-7,9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113475 (CHEMBL3603922 | US10246432, Example 18 | US1058411...) Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(cc(c1)C#N)C#N Show InChI InChI=1S/C17H8FN5/c18-14-1-2-15(21-9-14)17-6-16(22-10-23-17)13-4-11(7-19)3-12(5-13)8-20/h1-6,9-10H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113478 (CHEMBL3603925 | US10246432, Example 20 | US1058411...) Show SMILES Clc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C16H8Cl2N4/c17-12-1-2-14(20-8-12)16-6-15(21-9-22-16)11-3-10(7-19)4-13(18)5-11/h1-6,8-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM372982 (3-methyl-5-[6-(5- | US10246432, Example 23 | US105...) Show SMILES Cc1ccc(nc1)-c1cc(ncn1)-c1cc(C)cc(c1)C#N Show InChI InChI=1S/C18H14N4/c1-12-3-4-16(20-10-12)18-8-17(21-11-22-18)15-6-13(2)5-14(7-15)9-19/h3-8,10-11H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113474 (CHEMBL3603921 | US10246432, Example 19 | US1058411...) Show SMILES Cc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C17H11ClN4/c1-11-2-3-15(20-9-11)17-7-16(21-10-22-17)13-4-12(8-19)5-14(18)6-13/h2-7,9-10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM372983 (3-[6-(5-fluoropyridin-2- | US10246432, Example 24 ...) Show SMILES COCc1cc(cc(c1)-c1cc(ncn1)-c1ccc(F)cn1)C#N Show InChI InChI=1S/C18H13FN4O/c1-24-10-13-4-12(8-20)5-14(6-13)17-7-18(23-11-22-17)16-3-2-15(19)9-21-16/h2-7,9,11H,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113467 (CHEMBL3603914 | US10246432, Example 14 | US1058411...) Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N Show InChI InChI=1S/C14H8ClN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM372963 (3-methyl-5-[6-(pyridin- | US10246432, Example 4 | ...) Show SMILES Cc1cc(cc(c1)-c1cc(ncn1)-c1ccccn1)C#N Show InChI InChI=1S/C17H12N4/c1-12-6-13(10-18)8-14(7-12)16-9-17(21-11-20-16)15-4-2-3-5-19-15/h2-9,11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113472 (CHEMBL3603919 | US10246432, Example 2 | US10584111...) Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-c1ccccn1)C#N Show InChI InChI=1S/C16H9ClN4/c17-13-6-11(9-18)5-12(7-13)15-8-16(21-10-20-15)14-3-1-2-4-19-14/h1-8,10H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113467 (CHEMBL3603914 | US10246432, Example 14 | US1058411...) Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N Show InChI InChI=1S/C14H8ClN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113466 (CHEMBL3603913 | US10246432, Example 13 | US1058411...) Show SMILES Cc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N Show InChI InChI=1S/C15H11N5/c1-11-5-12(9-16)7-13(6-11)14-8-15(18-10-17-14)20-4-2-3-19-20/h2-8,10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	4.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM372969 (3-chloro-4-fluoro-5-[4- | US10246432, Example 10 |...) Show SMILES Fc1c(Cl)cc(cc1-c1cc(ccn1)-n1cccn1)C#N Show InChI InChI=1S/C15H8ClFN4/c16-13-7-10(9-18)6-12(15(13)17)14-8-11(2-4-19-14)21-5-1-3-20-21/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM372984 (3-[6-(5-fluoropyridin-2- | US10246432, Example 25 ...) Show SMILES COc1cc(cc(c1)-c1cc(ncn1)-c1ccc(F)cn1)C#N Show InChI InChI=1S/C17H11FN4O/c1-23-14-5-11(8-19)4-12(6-14)16-7-17(22-10-21-16)15-3-2-13(18)9-20-15/h2-7,9-10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM372965 (3-(4,4′-bipyrimidin-6-yl)-5-chlorobenzonitri...) Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-c1ccncn1)C#N Show InChI InChI=1S/C15H8ClN5/c16-12-4-10(7-17)3-11(5-12)14-6-15(21-9-20-14)13-1-2-18-8-19-13/h1-6,8-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113466 (CHEMBL3603913 | US10246432, Example 13 | US1058411...) Show SMILES Cc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N Show InChI InChI=1S/C15H11N5/c1-11-5-12(9-16)7-13(6-11)14-8-15(18-10-17-14)20-4-2-3-19-20/h2-8,10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	5.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM372975 (3-(fluoromethyl)-5-[6- | US10246432, Example 16 | ...) Show SMILES FCc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N Show InChI InChI=1S/C15H10FN5/c16-8-11-4-12(9-17)6-13(5-11)14-7-15(19-10-18-14)21-3-1-2-20-21/h1-7,10H,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM372970 (3-chloro-4-fluoro-5-[2- | US10246432, Example 11 |...) Show SMILES Fc1c(Cl)cc(cc1-c1ccnc(c1)-n1cccn1)C#N Show InChI InChI=1S/C15H8ClFN4/c16-13-7-10(9-18)6-12(15(13)17)11-2-4-19-14(8-11)21-5-1-3-20-21/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113480 (CHEMBL3603927 | US10246432, Example 5 | US10584111...) Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-c1cccnn1)C#N Show InChI InChI=1S/C15H8ClN5/c16-12-5-10(8-17)4-11(6-12)14-7-15(19-9-18-14)13-2-1-3-20-21-13/h1-7,9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	9.77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM372971 (3-chloro-4-fluoro-5-[6- | US10246432, Example 12 |...) Show SMILES Fc1cnn(c1)-c1cc(ncn1)-c1cc(cc(Cl)c1F)C#N Show InChI InChI=1S/C14H6ClF2N5/c15-11-2-8(4-18)1-10(14(11)17)12-3-13(20-7-19-12)22-6-9(16)5-21-22/h1-3,5-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM372980 (5-[6-(pyridin-2- | US10246432, Example 21 | US1058...) Show SMILES N#Cc1cc(cc(c1)-c1cc(ncn1)-c1ccccn1)C#N Show InChI InChI=1S/C17H9N5/c18-9-12-5-13(10-19)7-14(6-12)16-8-17(22-11-21-16)15-3-1-2-4-20-15/h1-8,11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair