Compile Data Set for Download or QSAR

Found 895 hits with Last Name = 'nagasawa' and Initial = 'jy'   

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))	BDBM50172117 (2-Cyclohex-1-enylethynyl-pyridine | CHEMBL196643) Show SMILES C1CCC(=CC1)C#Cc1ccccn1 |c:3| Show InChI InChI=1S/C13H13N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h4-6,8,11H,1-3,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172136 (4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-ca...) Show SMILES O=C(OCc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:14| Show InChI InChI=1S/C20H18N2O2/c23-20(24-16-18-6-2-1-3-7-18)22-14-11-17(12-15-22)9-10-19-8-4-5-13-21-19/h1-8,11,13H,12,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172123 (3-Chloro-5-(3-pyridin-2-ylethynyl-cyclohex-2-enylo...) Show SMILES Clc1cncc(OC2CCCC(=C2)C#Cc2ccccn2)c1 |c:11| Show InChI InChI=1S/C18H15ClN2O/c19-15-11-18(13-20-12-15)22-17-6-3-4-14(10-17)7-8-16-5-1-2-9-21-16/h1-2,5,9-13,17H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172130 (2-{[3-(pyridin-3-yloxy)cyclohex-1-en-1-yl]ethynyl}...) Show SMILES C1CC(Oc2cccnc2)C=C(C1)C#Cc1ccccn1 |c:11| Show InChI InChI=1S/C18H16N2O/c1-2-12-20-16(6-1)10-9-15-5-3-7-17(13-15)21-18-8-4-11-19-14-18/h1-2,4,6,8,11-14,17H,3,5,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172119 (2-[1-(4-Bromo-benzenesulfonyl)-1,2,3,6-tetrahydro-...) Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:14| Show InChI InChI=1S/C18H15BrN2O2S/c19-16-5-8-18(9-6-16)24(22,23)21-13-10-15(11-14-21)4-7-17-3-1-2-12-20-17/h1-3,5-6,8-10,12H,11,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172137 (CHEMBL197212 | Pyridin-3-yl-(3-pyridin-2-ylethynyl...) Show SMILES C1CC(Nc2cccnc2)C=C(C1)C#Cc1ccccn1 |c:11| Show InChI InChI=1S/C18H17N3/c1-2-12-20-16(6-1)10-9-15-5-3-7-17(13-15)21-18-8-4-11-19-14-18/h1-2,4,6,8,11-14,17,21H,3,5,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172132 (2-Cyclopent-1-enylethynyl-pyridine | CHEMBL443487) Show SMILES C1CC=C(C1)C#Cc1ccccn1 |c:2| Show InChI InChI=1S/C12H11N/c1-2-6-11(5-1)8-9-12-7-3-4-10-13-12/h3-5,7,10H,1-2,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172118 (2-[1-(Toluene-4-sulfonyl)-1,2,3,6-tetrahydro-pyrid...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:14| Show InChI InChI=1S/C19H18N2O2S/c1-16-5-9-19(10-6-16)24(22,23)21-14-11-17(12-15-21)7-8-18-4-2-3-13-20-18/h2-6,9-11,13H,12,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172126 (2-[1-(Toluene-3-sulfonyl)-1,2,3,6-tetrahydro-pyrid...) Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:14| Show InChI InChI=1S/C19H18N2O2S/c1-16-5-4-7-19(15-16)24(22,23)21-13-10-17(11-14-21)8-9-18-6-2-3-12-20-18/h2-7,10,12,15H,11,13-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172129 (4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-ca...) Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:10| Show InChI InChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19-12-9-14(10-13-19)7-8-15-6-4-5-11-18-15/h4-6,9,11H,10,12-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172131 (2-{[3-(pyridin-4-yloxy)cyclohex-1-en-1-yl]ethynyl}...) Show SMILES C1CC(Oc2ccncc2)C=C(C1)C#Cc1ccccn1 |c:11| Show InChI InChI=1S/C18H16N2O/c1-2-11-20-16(5-1)8-7-15-4-3-6-18(14-15)21-17-9-12-19-13-10-17/h1-2,5,9-14,18H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172125 (CHEMBL194407 | Pyridin-3-yl-(4-pyridin-2-ylethynyl...) Show SMILES C1CC(=CCC1Nc1cccnc1)C#Cc1ccccn1 |c:2| Show InChI InChI=1S/C18H17N3/c1-2-13-20-16(4-1)9-6-15-7-10-17(11-8-15)21-18-5-3-12-19-14-18/h1-5,7,12-14,17,21H,8,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172121 (2-{[3-(pyridin-4-ylthio)cyclohex-1-en-1-yl]ethynyl...) Show SMILES C1CC(Sc2ccncc2)C=C(C1)C#Cc1ccccn1 |c:11| Show InChI InChI=1S/C18H16N2S/c1-2-11-20-16(5-1)8-7-15-4-3-6-18(14-15)21-17-9-12-19-13-10-17/h1-2,5,9-14,18H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172124 (2-[3-(Naphthalen-2-ylsulfanyl)-cyclohex-1-enylethy...) Show SMILES C1CC(Sc2ccc3ccccc3c2)C=C(C1)C#Cc1ccccn1 |c:16| Show InChI InChI=1S/C23H19NS/c1-2-8-20-17-23(14-12-19(20)7-1)25-22-10-5-6-18(16-22)11-13-21-9-3-4-15-24-21/h1-4,7-9,12,14-17,22H,5-6,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172120 (2-Cyclohexylethynyl-pyridine | CHEMBL195965) Show SMILES C1CCC(CC1)C#Cc1ccccn1 Show InChI InChI=1S/C13H15N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h4-5,8,11-12H,1-3,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172122 (4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-ca...) Show SMILES O=C(Oc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:13| Show InChI InChI=1S/C19H16N2O2/c22-19(23-18-7-2-1-3-8-18)21-14-11-16(12-15-21)9-10-17-6-4-5-13-20-17/h1-8,11,13H,12,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172127 (CHEMBL370879 | Naphthalen-2-yl-(4-pyridin-2-ylethy...) Show SMILES C1CC(=CCC1Nc1ccc2ccccc2c1)C#Cc1ccccn1 |c:2| Show InChI InChI=1S/C23H20N2/c1-2-6-20-17-23(15-11-19(20)5-1)25-22-13-9-18(10-14-22)8-12-21-7-3-4-16-24-21/h1-7,9,11,15-17,22,25H,10,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	304	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172135 (2-(1-Phenylmethanesulfonyl-1,2,3,6-tetrahydro-pyri...) Show SMILES O=S(=O)(Cc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:14| Show InChI InChI=1S/C19H18N2O2S/c22-24(23,16-18-6-2-1-3-7-18)21-14-11-17(12-15-21)9-10-19-8-4-5-13-20-19/h1-8,11,13H,12,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	389	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172134 (2-(1,2,3,6-Tetrahydro-pyridin-4-ylethynyl)-pyridin...) Show SMILES C1CC(=CCN1)C#Cc1ccccn1 |c:2| Show InChI InChI=1S/C12H12N2/c1-2-8-14-12(3-1)5-4-11-6-9-13-10-7-11/h1-3,6,8,13H,7,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172128 (CHEMBL196674 | Cyclopentyl-(4-pyridin-2-ylethynyl-...) Show SMILES C1CCC(C1)NC1CCC(=CC1)C#Cc1ccccn1 |c:10| Show InChI InChI=1S/C18H22N2/c1-2-7-17(6-1)20-18-12-9-15(10-13-18)8-11-16-5-3-4-14-19-16/h3-5,9,14,17-18,20H,1-2,6-7,10,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508703 (CHEMBL4563316) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCC(CF)CC2)cc1)c1cccc(O)c1 |t:1| Show InChI InChI=1S/C30H32FNO4/c1-20-27-18-25(34)7-10-28(27)36-30(29(20)23-3-2-4-24(33)17-23)22-5-8-26(9-6-22)35-16-15-32-13-11-21(19-31)12-14-32/h2-10,17-18,21,30,33-34H,11-16,19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508704 (CHEMBL4435067) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC[C@@H](CF)C2)cc1)c1cccc(O)c1 |r,t:1| Show InChI InChI=1S/C29H30FNO4/c1-19-26-16-24(33)7-10-27(26)35-29(28(19)22-3-2-4-23(32)15-22)21-5-8-25(9-6-21)34-14-13-31-12-11-20(17-30)18-31/h2-10,15-16,20,29,32-33H,11-14,17-18H2,1H3/t20-,29?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508708 (CHEMBL4438260) Show SMILES CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |r,t:1| Show InChI InChI=1S/C28H27F2NO3/c1-18-25-14-23(32)8-11-26(25)34-28(27(18)20-2-6-22(30)7-3-20)21-4-9-24(10-5-21)33-13-12-31-16-19(15-29)17-31/h2-11,14,19,28,32H,12-13,15-17H2,1H3/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1 |r,t:1| Show InChI InChI=1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50508700 (CHEMBL4453442) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](CF)C1 |r,c:22| Show InChI InChI=1S/C30H32FNO4/c1-19(32-13-12-21(16-31)17-32)18-35-26-9-6-22(7-10-26)30-29(23-4-3-5-24(33)14-23)20(2)27-15-25(34)8-11-28(27)36-30/h3-11,14-15,19,21,30,33-34H,12-13,16-18H2,1-2H3/t19-,21-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM368203 (US10227334, Example (S)-3-(3-Hydroxyphenyl)-4-meth...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1 |c:22| Show InChI InChI=1S/C30H33NO4/c1-19-13-14-31(17-19)20(2)18-34-26-10-7-22(8-11-26)30-29(23-5-4-6-24(32)15-23)21(3)27-16-25(33)9-12-28(27)35-30/h4-12,15-16,19-20,30,32-33H,13-14,17-18H2,1-3H3/t19-,20+,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508701 (CHEMBL4464718) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(cc1)C#N |t:1| Show InChI InChI=1S/C29H27FN2O3/c1-19-26-14-24(33)8-11-27(26)35-29(28(19)22-4-2-20(16-31)3-5-22)23-6-9-25(10-7-23)34-13-12-32-17-21(15-30)18-32/h2-11,14,21,29,33H,12-13,15,17-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508697 (CHEMBL4438826) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC[C@H](C2)C(F)F)cc1)c1cccc(O)c1 |r,t:1| Show InChI InChI=1S/C29H29F2NO4/c1-18-25-16-23(34)7-10-26(25)36-28(27(18)20-3-2-4-22(33)15-20)19-5-8-24(9-6-19)35-14-13-32-12-11-21(17-32)29(30)31/h2-10,15-16,21,28-29,33-34H,11-14,17H2,1H3/t21-,28?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508710 (CHEMBL4461269) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCC[C@H]2CF)cc1)c1cccc(O)c1 |r,t:1| Show InChI InChI=1S/C29H30FNO4/c1-19-26-17-24(33)9-12-27(26)35-29(28(19)21-4-2-6-23(32)16-21)20-7-10-25(11-8-20)34-15-14-31-13-3-5-22(31)18-30/h2,4,6-12,16-17,22,29,32-33H,3,5,13-15,18H2,1H3/t22-,29?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508709 (CHEMBL4576272) Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC(CF)C1 |r,c:22| Show InChI InChI=1S/C29H30FNO4/c1-18(31-15-20(14-30)16-31)17-34-25-9-6-21(7-10-25)29-28(22-4-3-5-23(32)12-22)19(2)26-13-24(33)8-11-27(26)35-29/h3-13,18,20,29,32-33H,14-17H2,1-2H3/t18-,29?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508707 (CHEMBL4438992) Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](CF)C1 |r,c:22| Show InChI InChI=1S/C30H32FNO4/c1-19(32-13-12-21(16-31)17-32)18-35-26-9-6-22(7-10-26)30-29(23-4-3-5-24(33)14-23)20(2)27-15-25(34)8-11-28(27)36-30/h3-11,14-15,19,21,30,33-34H,12-13,16-18H2,1-2H3/t19-,21-,30?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508706 (CHEMBL4574167) Show SMILES COC[C@@H]1CCN(CCOc2ccc(cc2)C2Oc3ccc(O)cc3C(C)=C2c2cccc(O)c2)C1 |r,c:28| Show InChI InChI=1S/C30H33NO5/c1-20-27-17-25(33)8-11-28(27)36-30(29(20)23-4-3-5-24(32)16-23)22-6-9-26(10-7-22)35-15-14-31-13-12-21(18-31)19-34-2/h3-11,16-17,21,30,32-33H,12-15,18-19H2,1-2H3/t21-,30?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM368197 ((-)-2-(4-(2-(3-(Fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1 |t:1| Show InChI InChI=1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50508702 (CHEMBL4454014) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |t:1| Show InChI InChI=1S/C28H27F2NO3/c1-18-25-14-23(32)8-11-26(25)34-28(27(18)20-2-6-22(30)7-3-20)21-4-9-24(10-5-21)33-13-12-31-16-19(15-29)17-31/h2-11,14,19,28,32H,12-13,15-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508705 (CHEMBL4450664) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC[C@H](C2)C#N)cc1)c1cccc(O)c1 |r,t:1| Show InChI InChI=1S/C29H28N2O4/c1-19-26-16-24(33)7-10-27(26)35-29(28(19)22-3-2-4-23(32)15-22)21-5-8-25(9-6-21)34-14-13-31-12-11-20(17-30)18-31/h2-10,15-16,20,29,32-33H,11-14,18H2,1H3/t20-,29?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50172123 (3-Chloro-5-(3-pyridin-2-ylethynyl-cyclohex-2-enylo...) Show SMILES Clc1cncc(OC2CCCC(=C2)C#Cc2ccccn2)c1 |c:11| Show InChI InChI=1S/C18H15ClN2O/c19-15-11-18(13-20-12-15)22-17-6-3-4-14(10-17)7-8-16-5-1-2-9-21-16/h1-2,5,9-13,17H,3-4,6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Ca+2 flux mediated by human mGlu5 receptor expressed in Ltk cells using fura-2 dye				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50335638 (5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q21N857Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50172130 (2-{[3-(pyridin-3-yloxy)cyclohex-1-en-1-yl]ethynyl}...) Show SMILES C1CC(Oc2cccnc2)C=C(C1)C#Cc1ccccn1 |c:11| Show InChI InChI=1S/C18H16N2O/c1-2-12-20-16(6-1)10-9-15-5-3-7-17(13-15)21-18-8-4-11-19-14-18/h1-2,4,6,8,11-14,17H,3,5,7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Ca+2 flux mediated by human mGlu5 receptor expressed in Ltk cells using fura-2 dye				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50172119 (2-[1-(4-Bromo-benzenesulfonyl)-1,2,3,6-tetrahydro-...) Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:14| Show InChI InChI=1S/C18H15BrN2O2S/c19-16-5-8-18(9-6-16)24(22,23)21-13-10-15(11-14-21)4-7-17-3-1-2-12-20-17/h1-3,5-6,8-10,12H,11,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Ca+2 flux mediated by human mGlu5 receptor expressed in Ltk cells using fura-2 dye				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50172117 (2-Cyclohex-1-enylethynyl-pyridine | CHEMBL196643) Show SMILES C1CCC(=CC1)C#Cc1ccccn1 |c:3| Show InChI InChI=1S/C13H13N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h4-6,8,11H,1-3,7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Ca+2 flux mediated by human mGlu5 receptor expressed in Ltk cells using fura-2 dye				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50172129 (4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-ca...) Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:10| Show InChI InChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19-12-9-14(10-13-19)7-8-15-6-4-5-11-18-15/h4-6,9,11H,10,12-13H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Ca+2 flux mediated by human mGlu5 receptor expressed in Ltk cells using fura-2 dye				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM165350 (US8168651, Compound TABLE 16.16 | US9062043, Table...) Show SMILES OC(=O)c1ccc2c(c1)nc(NCCc1ccccc1)c1ccncc21 Show InChI InChI=1S/C21H17N3O2/c25-21(26)15-6-7-16-18-13-22-10-9-17(18)20(24-19(16)12-15)23-11-8-14-4-2-1-3-5-14/h1-7,9-10,12-13H,8,11H2,(H,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q21N857Q
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM165360 (US8168651, Compound TABLE 16.27 | US9062043, Table...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ccncc21 Show InChI InChI=1S/C21H13N3O2/c1-2-13-4-3-5-15(10-13)23-20-17-8-9-22-12-18(17)16-7-6-14(21(25)26)11-19(16)24-20/h1,3-12H,(H,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q21N857Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50172132 (2-Cyclopent-1-enylethynyl-pyridine | CHEMBL443487) Show SMILES C1CC=C(C1)C#Cc1ccccn1 |c:2| Show InChI InChI=1S/C12H11N/c1-2-6-11(5-1)8-9-12-7-3-4-10-13-12/h3-5,7,10H,1-2,6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Ca+2 flux mediated by human mGlu5 receptor expressed in Ltk cells using fura-2 dye				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM165367 (US8168651, Compound TABLE 16.34 | US9062043, Table...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#N)c1ccncc21 Show InChI InChI=1S/C20H12N4O2/c21-10-12-2-1-3-14(8-12)23-19-16-6-7-22-11-17(16)15-5-4-13(20(25)26)9-18(15)24-19/h1-9,11H,(H,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q21N857Q
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM165394 (US8168651, Compound TABLE 16.62 | US9062043, Table...) Show SMILES Nc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(ccc21)C(O)=O Show InChI InChI=1S/C18H12ClN5O2/c19-10-2-1-3-11(7-10)22-16-15-13(8-21-18(20)24-15)12-5-4-9(17(25)26)6-14(12)23-16/h1-8H,(H,22,23)(H,25,26)(H2,20,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q21N857Q
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM165340 (US8168651, Compound TABLE 16.6 | US9062043, Table ...) Show SMILES COc1cccc(Nc2nc3cc(ccc3c3cnccc23)C(O)=O)c1 Show InChI InChI=1S/C20H15N3O3/c1-26-14-4-2-3-13(10-14)22-19-16-7-8-21-11-17(16)15-6-5-12(20(24)25)9-18(15)23-19/h2-11H,1H3,(H,22,23)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q21N857Q
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM165341 (US8168651, Compound TABLE 16.7 | US9062043, Table ...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H11ClFN3O2/c20-15-8-11(2-4-16(15)21)23-18-13-5-6-22-9-14(13)12-3-1-10(19(25)26)7-17(12)24-18/h1-9H,(H,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q21N857Q
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM165366 (US8168651, Compound TABLE 16.33 | US9062043, Table...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1ccncc21 Show InChI InChI=1S/C19H11F2N3O2/c20-11-6-12(21)8-13(7-11)23-18-15-3-4-22-9-16(15)14-2-1-10(19(25)26)5-17(14)24-18/h1-9H,(H,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q21N857Q
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM165363 (US8168651, Compound TABLE 16.30 | US9062043, Table...) Show SMILES OC(=O)c1ccc2c(c1)nc(NCCc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C21H16ClN3O2/c22-15-3-1-2-13(10-15)6-9-24-20-17-7-8-23-12-18(17)16-5-4-14(21(26)27)11-19(16)25-20/h1-5,7-8,10-12H,6,9H2,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q21N857Q
					More data for this Ligand-Target Pair

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