Compile Data Set for Download or QSAR

Found 1171 hits with Last Name = 'ceccarelli' and Initial = 'sm'   

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
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197090 (CHEMBL3970105) Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=S)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4OS/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(29)28-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197093 (CHEMBL3959018) Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197092 (CHEMBL3947458) Show SMILES CC(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(O)=O Show InChI InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197087 (CHEMBL3950316) Show SMILES Cc1cc(Cl)cc2c(-c3ccccc3)c(C(O)=O)c(nc12)N1CCCCC1 Show InChI InChI=1S/C22H21ClN2O2/c1-14-12-16(23)13-17-18(15-8-4-2-5-9-15)19(22(26)27)21(24-20(14)17)25-10-6-3-7-11-25/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia 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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197086 (CHEMBL3971182) Show SMILES OC(=O)c1c(nc2c(Cl)cc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197088 (CHEMBL3979347) Show SMILES CC(C)c1cccc(c1)-c1c(C(O)=O)c(nc2ccc(Cl)cc12)N(C)C Show InChI InChI=1S/C21H21ClN2O2/c1-12(2)13-6-5-7-14(10-13)18-16-11-15(22)8-9-17(16)23-20(24(3)4)19(18)21(25)26/h5-12H,1-4H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197089 (CHEMBL3889982) Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=O)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4O2/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(28)29-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197094 (CHEMBL3941588) Show SMILES OC(=O)c1c(nc2ccc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201488 (CHEMBL239608 | N-(3-bromophenyl)-2-oxo-2,3-dihydro...) Show SMILES Brc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1 Show InChI InChI=1S/C14H9BrN2O3/c15-8-3-1-4-9(7-8)16-13(18)10-5-2-6-11-12(10)17-14(19)20-11/h1-7H,(H,16,18)(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201496 (CHEMBL239592 | N-(3-chlorophenyl)-2-oxo-2,3-dihydr...) Show SMILES Clc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1 Show InChI InChI=1S/C14H9ClN2O3/c15-8-3-1-4-9(7-8)16-13(18)10-5-2-6-11-12(10)17-14(19)20-11/h1-7H,(H,16,18)(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50197093 (CHEMBL3959018) Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b...				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50197091 (CHEMBL1738980) Show SMILES Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(O)=O Show InChI InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201484 (CHEMBL396691 | N-(6-methylpyridin-2-yl)-2-oxo-2,3-...) Show SMILES Cc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)n1 Show InChI InChI=1S/C14H11N3O3/c1-8-4-2-7-11(15-8)16-13(18)9-5-3-6-10-12(9)17-14(19)20-10/h2-7H,1H3,(H,17,19)(H,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50197087 (CHEMBL3950316) Show SMILES Cc1cc(Cl)cc2c(-c3ccccc3)c(C(O)=O)c(nc12)N1CCCCC1 Show InChI InChI=1S/C22H21ClN2O2/c1-14-12-16(23)13-17-18(15-8-4-2-5-9-15)19(22(26)27)21(24-20(14)17)25-10-6-3-7-11-25/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50197087 (CHEMBL3950316) Show SMILES Cc1cc(Cl)cc2c(-c3ccccc3)c(C(O)=O)c(nc12)N1CCCCC1 Show InChI InChI=1S/C22H21ClN2O2/c1-14-12-16(23)13-17-18(15-8-4-2-5-9-15)19(22(26)27)21(24-20(14)17)25-10-6-3-7-11-25/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b...				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197091 (CHEMBL1738980) Show SMILES Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(O)=O Show InChI InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201492 (2-oxo-N-m-tolyl-2,3-dihydrobenzo[d]oxazole-4-carbo...) Show SMILES Cc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1 Show InChI InChI=1S/C15H12N2O3/c1-9-4-2-5-10(8-9)16-14(18)11-6-3-7-12-13(11)17-15(19)20-12/h2-8H,1H3,(H,16,18)(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50197086 (CHEMBL3971182) Show SMILES OC(=O)c1c(nc2c(Cl)cc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b...				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50197090 (CHEMBL3970105) Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=S)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4OS/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(29)28-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b...				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 2, mitochondrial (Homo sapiens (Human))	BDBM50046145 (2-[6-hydroxy-4,4-dimethyl-6-pentadecyl-(2R,6S)-1,4...) Show SMILES CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1 Show InChI InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of CPT2				J Med Chem 54: 3109-52 (2011) Article DOI: 10.1021/jm100809g BindingDB Entry DOI: 10.7270/Q29K4CDQ
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50197089 (CHEMBL3889982) Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=O)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4O2/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(28)29-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b...				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201486 (CHEMBL391955 | N-(2-methylthiazol-4-yl)-2-oxo-2,3-...) Show SMILES Cc1nc(NC(=O)c2cccc3oc(=O)[nH]c23)cs1 Show InChI InChI=1S/C12H9N3O3S/c1-6-13-9(5-19-6)14-11(16)7-3-2-4-8-10(7)15-12(17)18-8/h2-5H,1H3,(H,14,16)(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201480 (2-oxo-N-(pyridin-2-yl)-2,3-dihydrobenzo[d]oxazole-...) Show SMILES O=C(Nc1ccccn1)c1cccc2oc(=O)[nH]c12 Show InChI InChI=1S/C13H9N3O3/c17-12(15-10-6-1-2-7-14-10)8-4-3-5-9-11(8)16-13(18)19-9/h1-7H,(H,16,18)(H,14,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201490 (CHEMBL391398 | N-(3-cyanophenyl)-2-oxo-2,3-dihydro...) Show SMILES O=C(Nc1cccc(c1)C#N)c1cccc2oc(=O)[nH]c12 Show InChI InChI=1S/C15H9N3O3/c16-8-9-3-1-4-10(7-9)17-14(19)11-5-2-6-12-13(11)18-15(20)21-12/h1-7H,(H,17,19)(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	327	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50197092 (CHEMBL3947458) Show SMILES CC(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(O)=O Show InChI InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201478 (CHEMBL239594 | N-(3-chlorophenyl)-2-oxoindoline-7-...) Show SMILES Clc1cccc(NC(=O)c2cccc3CC(=O)Nc23)c1 Show InChI InChI=1S/C15H11ClN2O2/c16-10-4-2-5-11(8-10)17-15(20)12-6-1-3-9-7-13(19)18-14(9)12/h1-6,8H,7H2,(H,17,20)(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	397	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50197086 (CHEMBL3971182) Show SMILES OC(=O)c1c(nc2c(Cl)cc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201494 (2-oxo-N-(3-(trifluoromethyl)phenyl)-2,3-dihydroben...) Show SMILES FC(F)(F)c1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1 Show InChI InChI=1S/C15H9F3N2O3/c16-15(17,18)8-3-1-4-9(7-8)19-13(21)10-5-2-6-11-12(10)20-14(22)23-11/h1-7H,(H,19,21)(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	485	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50197094 (CHEMBL3941588) Show SMILES OC(=O)c1c(nc2ccc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b...				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50197092 (CHEMBL3947458) Show SMILES CC(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(O)=O Show InChI InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b...				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201485 (CHEMBL245640 | N-(2-methylpyrimidin-4-yl)-2-oxo-2,...) Show SMILES Cc1nccc(NC(=O)c2cccc3oc(=O)[nH]c23)n1 Show InChI InChI=1S/C13H10N4O3/c1-7-14-6-5-10(15-7)16-12(18)8-3-2-4-9-11(8)17-13(19)20-9/h2-6H,1H3,(H,17,19)(H,14,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201501 (2-oxo-N-phenyl-2,3-dihydrobenzo[d]oxazole-4-carbox...) Show SMILES O=C(Nc1ccccc1)c1cccc2oc(=O)[nH]c12 Show InChI InChI=1S/C14H10N2O3/c17-13(15-9-5-2-1-3-6-9)10-7-4-8-11-12(10)16-14(18)19-11/h1-8H,(H,15,17)(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50197093 (CHEMBL3959018) Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 2, mitochondrial (Homo sapiens (Human))	BDBM50046145 (2-[6-hydroxy-4,4-dimethyl-6-pentadecyl-(2R,6S)-1,4...) Show SMILES CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1 Show InChI InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of CPT2 in heart mitochondria using carnitine				J Med Chem 54: 3109-52 (2011) Article DOI: 10.1021/jm100809g BindingDB Entry DOI: 10.7270/Q29K4CDQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201500 (CHEMBL239595 | N-(3-chlorophenyl)-3-oxo-3,4-dihydr...) Show SMILES Clc1cccc(NC(=O)c2cccc3OCC(=O)Nc23)c1 Show InChI InChI=1S/C15H11ClN2O3/c16-9-3-1-4-10(7-9)17-15(20)11-5-2-6-12-14(11)18-13(19)8-21-12/h1-7H,8H2,(H,17,20)(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201479 (CHEMBL248509 | N-(2-methylpyridin-4-yl)-2-oxo-2,3-...) Show SMILES Cc1cc(NC(=O)c2cccc3oc(=O)[nH]c23)ccn1 Show InChI InChI=1S/C14H11N3O3/c1-8-7-9(5-6-15-8)16-13(18)10-3-2-4-11-12(10)17-14(19)20-11/h2-7H,1H3,(H,17,19)(H,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201493 (CHEMBL247890 | N-(4-chlorophenyl)-2-oxo-2,3-dihydr...) Show SMILES Clc1ccc(NC(=O)c2cccc3oc(=O)[nH]c23)cc1 Show InChI InChI=1S/C14H9ClN2O3/c15-8-4-6-9(7-5-8)16-13(18)10-2-1-3-11-12(10)17-14(19)20-11/h1-7H,(H,16,18)(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201498 (CHEMBL239602 | N-(3-chlorophenyl)-1H-indole-7-carb...) Show SMILES Clc1cccc(NC(=O)c2cccc3cc[nH]c23)c1 Show InChI InChI=1S/C15H11ClN2O/c16-11-4-2-5-12(9-11)18-15(19)13-6-1-3-10-7-8-17-14(10)13/h1-9,17H,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201491 (CHEMBL239599 | N-(3-chlorophenyl)-2-oxo-2,3-dihydr...) Show SMILES Clc1cccc(NC(=O)c2cccc3[nH]c(=O)[nH]c23)c1 Show InChI InChI=1S/C14H10ClN3O2/c15-8-3-1-4-9(7-8)16-13(19)10-5-2-6-11-12(10)18-14(20)17-11/h1-7H,(H,16,19)(H2,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201489 (CHEMBL430387 | N-(3-methoxyphenyl)-2-oxo-2,3-dihyd...) Show SMILES COc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1 Show InChI InChI=1S/C15H12N2O4/c1-20-10-5-2-4-9(8-10)16-14(18)11-6-3-7-12-13(11)17-15(19)21-12/h2-8H,1H3,(H,16,18)(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50197090 (CHEMBL3970105) Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=S)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4OS/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(29)28-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 2, mitochondrial (Homo sapiens (Human))	BDBM50046145 (2-[6-hydroxy-4,4-dimethyl-6-pentadecyl-(2R,6S)-1,4...) Show SMILES CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1 Show InChI InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of CPT2 in liver mitochondria using carnitine				J Med Chem 54: 3109-52 (2011) Article DOI: 10.1021/jm100809g BindingDB Entry DOI: 10.7270/Q29K4CDQ
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50197088 (CHEMBL3979347) Show SMILES CC(C)c1cccc(c1)-c1c(C(O)=O)c(nc2ccc(Cl)cc12)N(C)C Show InChI InChI=1S/C21H21ClN2O2/c1-12(2)13-6-5-7-14(10-13)18-16-11-15(22)8-9-17(16)23-20(24(3)4)19(18)21(25)26/h5-12H,1-4H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b...				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50197089 (CHEMBL3889982) Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=O)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4O2/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(28)29-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201495 (CHEMBL239604 | N-(3-chlorophenyl)-3H-benzo[d][1,2,...) Show SMILES Clc1cccc(NC(=O)c2cccc3nn[nH]c23)c1 Show InChI InChI=1S/C13H9ClN4O/c14-8-3-1-4-9(7-8)15-13(19)10-5-2-6-11-12(10)17-18-16-11/h1-7H,(H,15,19)(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201483 (2-acetamido-N-(3-chlorophenyl)benzamide | CHEMBL23...) Show SMILES CC(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C15H13ClN2O2/c1-10(19)17-14-8-3-2-7-13(14)15(20)18-12-6-4-5-11(16)9-12/h2-9H,1H3,(H,17,19)(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201487 (CHEMBL239600 | N-(3-chlorophenyl)-1-methyl-2-oxo-2...) Show SMILES Cn1c2cccc(C(=O)Nc3cccc(Cl)c3)c2[nH]c1=O Show InChI InChI=1S/C15H12ClN3O2/c1-19-12-7-3-6-11(13(12)18-15(19)21)14(20)17-10-5-2-4-9(16)8-10/h2-8H,1H3,(H,17,20)(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201481 (CHEMBL247080 | N-(3,5-dichlorophenyl)-2-oxo-2,3-di...) Show SMILES Clc1cc(Cl)cc(NC(=O)c2cccc3oc(=O)[nH]c23)c1 Show InChI InChI=1S/C14H8Cl2N2O3/c15-7-4-8(16)6-9(5-7)17-13(19)10-2-1-3-11-12(10)18-14(20)21-11/h1-6H,(H,17,19)(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201499 (CHEMBL393480 | N-(3-chlorophenyl)-3H-benzo[d]imida...) Show SMILES Clc1cccc(NC(=O)c2cccc3nc[nH]c23)c1 Show InChI InChI=1S/C14H10ClN3O/c15-9-3-1-4-10(7-9)18-14(19)11-5-2-6-12-13(11)17-8-16-12/h1-8H,(H,16,17)(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201497 (CHEMBL247888 | N-(2-chlorophenyl)-2-oxo-2,3-dihydr...) Show SMILES Clc1ccccc1NC(=O)c1cccc2oc(=O)[nH]c12 Show InChI InChI=1S/C14H9ClN2O3/c15-9-5-1-2-6-10(9)16-13(18)8-4-3-7-11-12(8)17-14(19)20-11/h1-7H,(H,16,18)(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to mGluR5				Bioorg Med Chem Lett 17: 1302-6 (2007) Article DOI: 10.1016/j.bmcl.2006.12.006 BindingDB Entry DOI: 10.7270/Q2H41R3G
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1171 total )  |  Next  |  Last  >>

Jump to: