Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'johannsen' and Initial = 's'   

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))	BDBM50318372 ((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-meth...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:7| Show InChI InChI=1S/C14H14N2O/c1-17-16-14-7-4-5-12(11-14)8-9-13-6-2-3-10-15-13/h2-3,6,10-11H,4-5,7H2,1H3/b16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318382 (3-[pyridine-2-yl)ethynyl]cyclohex-2-enone-O-fluoro...) Show SMILES FCCOCCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12| Show InChI InChI=1S/C17H19FN2O2/c18-9-11-21-12-13-22-20-17-6-3-4-15(14-17)7-8-16-5-1-2-10-19-16/h1-2,5,10,14H,3-4,6,9,11-13H2/b20-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318375 ((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-3-fl...) Show SMILES Fc1cccnc1O\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:14| Show InChI InChI=1S/C18H14FN3O/c19-17-8-4-12-21-18(17)23-22-16-7-3-5-14(13-16)9-10-15-6-1-2-11-20-15/h1-2,4,6,8,11-13H,3,5,7H2/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50198702 ((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7| Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318381 ((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-(3-f...) Show SMILES FCCCOCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12| Show InChI InChI=1S/C17H19FN2O2/c18-10-4-12-21-14-22-20-17-7-3-5-15(13-17)8-9-16-6-1-2-11-19-16/h1-2,6,11,13H,3-5,7,10,12,14H2/b20-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318380 ((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-(2-f...) Show SMILES FCCOCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:11| Show InChI InChI=1S/C16H17FN2O2/c17-9-11-20-13-21-19-16-6-3-4-14(12-16)7-8-15-5-1-2-10-18-15/h1-2,5,10,12H,3-4,6,9,11,13H2/b19-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318374 ((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-6-fl...) Show SMILES Fc1cccc(O\N=C2/CCCC(=C2)C#Cc2ccccn2)n1 |c:12| Show InChI InChI=1S/C18H14FN3O/c19-17-8-4-9-18(21-17)23-22-16-7-3-5-14(13-16)10-11-15-6-1-2-12-20-15/h1-2,4,6,8-9,12-13H,3,5,7H2/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318383 ((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...) Show SMILES Cc1cccc(n1)C#CC1=C\C(CCC1)=N\OCCOCCF |t:10| Show InChI InChI=1S/C18H21FN2O2/c1-15-4-2-6-17(20-15)9-8-16-5-3-7-18(14-16)21-23-13-12-22-11-10-19/h2,4,6,14H,3,5,7,10-13H2,1H3/b21-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318376 ((Z)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-6-fl...) Show SMILES Fc1cccc(O\N=C2\CCCC(=C2)C#Cc2ccccn2)n1 |c:12| Show InChI InChI=1S/C18H14FN3O/c19-17-8-4-9-18(21-17)23-22-16-7-3-5-14(13-16)10-11-15-6-1-2-12-20-15/h1-2,4,6,8-9,12-13H,3,5,7H2/b22-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318373 ((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...) Show SMILES Cc1cccc(n1)C#CC1=C\C(CCC1)=N\Oc1cccc(F)n1 |t:10| Show InChI InChI=1S/C19H16FN3O/c1-14-5-2-7-16(21-14)12-11-15-6-3-8-17(13-15)23-24-19-10-4-9-18(20)22-19/h2,4-5,7,9-10,13H,3,6,8H2,1H3/b23-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318377 ((Z)-4-fluoro-2-(3-(pyridin-2-ylethynyl)cyclohex-2-...) Show SMILES Fc1cc(O\N=C2\CCCC(=C2)C#Cc2ccccn2)ccc1C#N |c:10| Show InChI InChI=1S/C20H14FN3O/c21-20-13-19(10-8-16(20)14-22)25-24-18-6-3-4-15(12-18)7-9-17-5-1-2-11-23-17/h1-2,5,8,10-13H,3-4,6H2/b24-18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318371 ((E)-3-(pyridin-4-ylethynyl)cyclohex-2-enone O-meth...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1ccncc1 |c:7| Show InChI InChI=1S/C14H14N2O/c1-17-16-14-4-2-3-13(11-14)6-5-12-7-9-15-10-8-12/h7-11H,2-4H2,1H3/b16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	54.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318379 ((E)-4-fluoro-2-(3-(pyridin-2-ylethynyl)cyclohex-2-...) Show SMILES Fc1cc(O\N=C2/CCCC(=C2)C#Cc2ccccn2)ccc1C#N |c:10| Show InChI InChI=1S/C20H14FN3O/c21-20-13-19(10-8-16(20)14-22)25-24-18-6-3-4-15(12-18)7-9-17-5-1-2-11-23-17/h1-2,5,8,10-13H,3-4,6H2/b24-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318378 ((E)-2-fluoro-4-(3-(pyridin-2-ylethynyl)cyclohex-2-...) Show SMILES Fc1ccc(C#N)c(O\N=C2/CCCC(=C2)C#Cc2ccccn2)c1 |c:14| Show InChI InChI=1S/C20H14FN3O/c21-17-9-8-16(14-22)20(13-17)25-24-19-6-3-4-15(12-19)7-10-18-5-1-2-11-23-18/h1-2,5,8-9,11-13H,3-4,6H2/b24-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318370 ((E)-3-(pyridin-3-ylethynyl)cyclohex-2-enone O-meth...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccnc1 |c:7| Show InChI InChI=1S/C14H14N2O/c1-17-16-14-6-2-4-12(10-14)7-8-13-5-3-9-15-11-13/h3,5,9-11H,2,4,6H2,1H3/b16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190176 (US9175320, (R)-2-(7-(4-cyclopentyl-3-(trifluoromet...) Show SMILES COC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	0.102	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description The compound (R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid was shown to be an agonist o...				US Patent US9175320 (2015) BindingDB Entry DOI: 10.7270/Q23J3BR6
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318382 (3-[pyridine-2-yl)ethynyl]cyclohex-2-enone-O-fluoro...) Show SMILES FCCOCCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12| Show InChI InChI=1S/C17H19FN2O2/c18-9-11-21-12-13-22-20-17-6-3-4-15(14-17)7-8-16-5-1-2-10-19-16/h1-2,5,10,14H,3-4,6,9,11-13H2/b20-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Binding affinity to mGluR5 ligand binding site 1 in Sprague-Dawley rat brain P2 membrane after 45 mins by gamma counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318382 (3-[pyridine-2-yl)ethynyl]cyclohex-2-enone-O-fluoro...) Show SMILES FCCOCCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12| Show InChI InChI=1S/C17H19FN2O2/c18-9-11-21-12-13-22-20-17-6-3-4-15(14-17)7-8-16-5-1-2-10-19-16/h1-2,5,10,14H,3-4,6,9,11-13H2/b20-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	13.7	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Binding affinity to mGluR5 ligand binding site 2 in Sprague-Dawley rat brain P2 membrane after 45 mins by gamma counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50041691 (CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...) Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	0.102	n/a	n/a	n/a	n/a
TBA					Assay Description The HTRF assay was carried out using a two-step protocol essentially according to the kit manufacturer's instructions, in 20 L total volume per w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N019PK
					More data for this Ligand-Target Pair