Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 10059   

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))	BDBM511435 ((-)-(1R,5S)-2-[5-(2,5-Difluoro-phenylethynyl)-pyri...) Show SMILES CN1[C@H]2CC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1cc(F)ccc1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For binding experiments, cDNA encoding human mGlu5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger and...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89SX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM511433 ((-)-(1R,5S)-2-[5-(4-Fluoro-phenylethynyl)-pyridin-...) Show SMILES CN1[C@H]2CC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1ccc(F)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For binding experiments, cDNA encoding human mGlu5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger and...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89SX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM511432 ((-)-(1R,5S)-2-[5-(3-Fluoro-phenylethynyl)-pyridin-...) Show SMILES CN1[C@H]2CC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For binding experiments, cDNA encoding human mGlu5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger and...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89SX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM222815 (US11059766, WO2011128279 Ex. 106 | US9315498, 106) Show SMILES CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H19N3O/c1-22-17-8-5-9-18(17)23(20(22)24)19-13-12-16(14-21-19)11-10-15-6-3-2-4-7-15/h2-4,6-7,12-14,17-18H,5,8-9H2,1H3/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For binding experiments, cDNA encoding human mGlu5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger and...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89SX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM511431 ((-)-(1 S,5R)-2-methyl-4-(5-(phenylethynyl)pyridin-...) Show SMILES CN1[C@H]2CC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1ccccc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For binding experiments, cDNA encoding human mGlu5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger and...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89SX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM222818 (US11059766, WO2011128279 Ex. 109 | US9315498, 109) Show SMILES CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r| Show InChI InChI=1S/C20H18FN3O/c1-23-17-6-3-7-18(17)24(20(23)25)19-11-10-15(13-22-19)9-8-14-4-2-5-16(21)12-14/h2,4-5,10-13,17-18H,3,6-7H2,1H3/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For binding experiments, cDNA encoding human mGlu5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger and...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89SX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM511435 ((-)-(1R,5S)-2-[5-(2,5-Difluoro-phenylethynyl)-pyri...) Show SMILES CN1[C@H]2CC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1cc(F)ccc1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
TBA					Assay Description A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89SX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM222815 (US11059766, WO2011128279 Ex. 106 | US9315498, 106) Show SMILES CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H19N3O/c1-22-17-8-5-9-18(17)23(20(22)24)19-13-12-16(14-21-19)11-10-15-6-3-2-4-7-15/h2-4,6-7,12-14,17-18H,5,8-9H2,1H3/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
TBA					Assay Description For binding experiments, cDNA encoding human mGlu5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger and...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89SX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM222818 (US11059766, WO2011128279 Ex. 109 | US9315498, 109) Show SMILES CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r| Show InChI InChI=1S/C20H18FN3O/c1-23-17-6-3-7-18(17)24(20(23)25)19-11-10-15(13-22-19)9-8-14-4-2-5-16(21)12-14/h2,4-5,10-13,17-18H,3,6-7H2,1H3/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
TBA					Assay Description For binding experiments, cDNA encoding human mGlu5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger and...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89SX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM511433 ((-)-(1R,5S)-2-[5-(4-Fluoro-phenylethynyl)-pyridin-...) Show SMILES CN1[C@H]2CC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1ccc(F)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA					Assay Description A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89SX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM511432 ((-)-(1R,5S)-2-[5-(3-Fluoro-phenylethynyl)-pyridin-...) Show SMILES CN1[C@H]2CC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
TBA					Assay Description A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89SX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM511431 ((-)-(1 S,5R)-2-methyl-4-(5-(phenylethynyl)pyridin-...) Show SMILES CN1[C@H]2CC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1ccccc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
TBA					Assay Description A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89SX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM222818 (US11059766, WO2011128279 Ex. 109 | US9315498, 109) Show SMILES CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r| Show InChI InChI=1S/C20H18FN3O/c1-23-17-6-3-7-18(17)24(20(23)25)19-11-10-15(13-22-19)9-8-14-4-2-5-16(21)12-14/h2,4-5,10-13,17-18H,3,6-7H2,1H3/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
TBA					Assay Description A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89SX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM222815 (US11059766, WO2011128279 Ex. 106 | US9315498, 106) Show SMILES CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H19N3O/c1-22-17-8-5-9-18(17)23(20(22)24)19-13-12-16(14-21-19)11-10-15-6-3-2-4-7-15/h2-4,6-7,12-14,17-18H,5,8-9H2,1H3/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
TBA					Assay Description A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89SX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM222815 (US11059766, WO2011128279 Ex. 106 | US9315498, 106) Show SMILES CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H19N3O/c1-22-17-8-5-9-18(17)23(20(22)24)19-13-12-16(14-21-19)11-10-15-6-3-2-4-7-15/h2-4,6-7,12-14,17-18H,5,8-9H2,1H3/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
TBA					Assay Description A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89SX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM222818 (US11059766, WO2011128279 Ex. 109 | US9315498, 109) Show SMILES CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r| Show InChI InChI=1S/C20H18FN3O/c1-23-17-6-3-7-18(17)24(20(23)25)19-11-10-15(13-22-19)9-8-14-4-2-5-16(21)12-14/h2,4-5,10-13,17-18H,3,6-7H2,1H3/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
TBA					Assay Description A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89SX
					More data for this Ligand-Target Pair