Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'milbank' and Initial = 'jb'   

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))	BDBM50084137 (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) Show SMILES Cc1cccc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGlu5 receptor in rat brain				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50216746 (3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile | C...) Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C17H11FN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGlu5 receptor in rat brain				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50210964 (3-(2-methylquinolin-7-yl)benzonitrile | CHEMBL2447...) Show SMILES Cc1ccc2ccc(cc2n1)-c1cccc(c1)C#N Show InChI InChI=1S/C17H12N2/c1-12-5-6-14-7-8-16(10-17(14)19-12)15-4-2-3-13(9-15)11-18/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGlu5 receptor in rat brain				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50035622 ((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>0.00100	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding of the compound at TP human prostaglandin receptor using [3H]-SQ-29,548 as radioligand				J Med Chem 44: 4157-69 (2001) BindingDB Entry DOI: 10.7270/Q2HT2NNP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50084137 (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) Show SMILES Cc1cccc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50216746 (3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile | C...) Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(F)cc(c1)C#N Show InChI InChI=1S/C17H11FN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50222709 (3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...) Show SMILES OCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,20,22H,5-6H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50216762 (3-chloro-5-(2-methylquinolin-7-yl)benzonitrile | C...) Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C17H11ClN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50216758 (3-methyl-5-(2-methylquinolin-7-yl)benzonitrile | C...) Show SMILES Cc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N Show InChI InChI=1S/C18H14N2/c1-12-7-14(11-19)9-17(8-12)16-6-5-15-4-3-13(2)20-18(15)10-16/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50106547 (7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenoxy-but-1-enyl...) Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C22H30O6/c23-16(15-28-17-8-4-3-5-9-17)12-13-19-18(20(24)14-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,16,18-21,23-25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t16-,18-,19-,20+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding of the compound at FP human prostaglandin receptor using [3H]-PGF-2 alpha as radioligand				J Med Chem 44: 4157-69 (2001) BindingDB Entry DOI: 10.7270/Q2HT2NNP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50216750 (5-(2-methylquinolin-7-yl)isophthalonitrile | CHEMB...) Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(cc(c1)C#N)C#N Show InChI InChI=1S/C18H11N3/c1-12-2-3-15-4-5-16(9-18(15)21-12)17-7-13(10-19)6-14(8-17)11-20/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50222709 (3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...) Show SMILES OCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,20,22H,5-6H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50216749 (3-(methoxymethyl)-5-(2-methylquinolin-7-yl)benzoni...) Show SMILES COCc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N Show InChI InChI=1S/C19H16N2O/c1-13-3-4-16-5-6-17(10-19(16)21-13)18-8-14(11-20)7-15(9-18)12-22-2/h3-10H,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50216761 (3-methoxy-5-(2-methylquinolin-7-yl)benzonitrile | ...) Show SMILES COc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N Show InChI InChI=1S/C18H14N2O/c1-12-3-4-14-5-6-15(10-18(14)20-12)16-7-13(11-19)8-17(9-16)21-2/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50035622 ((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding of the compound at FP human prostaglandin receptor using [3H]-PGF-2 alpha as radioligand				J Med Chem 44: 4157-69 (2001) BindingDB Entry DOI: 10.7270/Q2HT2NNP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476830 (CHEMBL442235) Show SMILES Cn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O Show InChI InChI=1S/C13H11FIN3O2/c1-18-6-8(13(16)20)11(5-12(18)19)17-10-3-2-7(15)4-9(10)14/h2-6,17H,1H3,(H2,16,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476834 (CHEMBL234887) Show SMILES Cn1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)cc1=O Show InChI InChI=1S/C15H15FIN3O4/c1-20-8-10(15(23)19-24-5-4-21)13(7-14(20)22)18-12-3-2-9(17)6-11(12)16/h2-3,6-8,18,21H,4-5H2,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50224920 (3-methoxy-5-(2-methyl-1,6-naphthyridin-7-yl)benzon...) Show SMILES COc1cc(cc(c1)-c1cc2nc(C)ccc2cn1)C#N Show InChI InChI=1S/C17H13N3O/c1-11-3-4-13-10-19-16(8-17(13)20-11)14-5-12(9-18)6-15(7-14)21-2/h3-8,10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization				Bioorg Med Chem Lett 17: 6525-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.083 BindingDB Entry DOI: 10.7270/Q2V40TXS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50210964 (3-(2-methylquinolin-7-yl)benzonitrile | CHEMBL2447...) Show SMILES Cc1ccc2ccc(cc2n1)-c1cccc(c1)C#N Show InChI InChI=1S/C17H12N2/c1-12-5-6-14-7-8-16(10-17(14)19-12)15-4-2-3-13(9-15)11-18/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50216741 (3-bromo-5-(2-methylquinolin-7-yl)benzonitrile | CH...) Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(Br)cc(c1)C#N Show InChI InChI=1S/C17H11BrN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50132260 (2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...) Show SMILES Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F Show InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476829 (CHEMBL396548) Show SMILES NC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C13H8F3IN2O/c14-8-3-2-7(13(18)20)12(11(8)16)19-10-4-1-6(17)5-9(10)15/h1-5,19H,(H2,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50216770 (3-ethoxy-5-(2-methylquinolin-7-yl)benzonitrile | C...) Show SMILES CCOc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N Show InChI InChI=1S/C19H16N2O/c1-3-22-18-9-14(12-20)8-17(10-18)16-7-6-15-5-4-13(2)21-19(15)11-16/h4-11H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476834 (CHEMBL234887) Show SMILES Cn1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)cc1=O Show InChI InChI=1S/C15H15FIN3O4/c1-20-8-10(15(23)19-24-5-4-21)13(7-14(20)22)18-12-3-2-9(17)6-11(12)16/h2-3,6-8,18,21H,4-5H2,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476826 (CHEMBL243457) Show SMILES Cn1cc(C(N)=O)c(Nc2ccc(cc2F)C#C)cc1=O Show InChI InChI=1S/C15H12FN3O2/c1-3-9-4-5-12(11(16)6-9)18-13-7-14(20)19(2)8-10(13)15(17)21/h1,4-8,18H,2H3,(H2,17,21)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476830 (CHEMBL442235) Show SMILES Cn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O Show InChI InChI=1S/C13H11FIN3O2/c1-18-6-8(13(16)20)11(5-12(18)19)17-10-3-2-7(15)4-9(10)14/h2-6,17H,1H3,(H2,16,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50216745 (5-(2-methylquinolin-7-yl)nicotinonitrile | CHEMBL2...) Show SMILES Cc1ccc2ccc(cc2n1)-c1cncc(c1)C#N Show InChI InChI=1S/C16H11N3/c1-11-2-3-13-4-5-14(7-16(13)19-11)15-6-12(8-17)9-18-10-15/h2-7,9-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476829 (CHEMBL396548) Show SMILES NC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C13H8F3IN2O/c14-8-3-2-7(13(18)20)12(11(8)16)19-10-4-1-6(17)5-9(10)15/h1-5,19H,(H2,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50106547 (7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenoxy-but-1-enyl...) Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C22H30O6/c23-16(15-28-17-8-4-3-5-9-17)12-13-19-18(20(24)14-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,16,18-21,23-25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t16-,18-,19-,20+,21-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Functional activity in RAT-1 cells, transiently transfected with human prostaglandin EP1 receptor				J Med Chem 44: 4157-69 (2001) BindingDB Entry DOI: 10.7270/Q2HT2NNP
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50106548 (CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...) Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1 |w:7.6| Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2?,13-12+/t17-,19-,20-,21+,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding of the compound at FP human prostaglandin receptor using [3H]-PGF-2 alpha as radioligand				J Med Chem 44: 4157-69 (2001) BindingDB Entry DOI: 10.7270/Q2HT2NNP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50224924 (2-(3,4-dimethylphenyl)-1,8-naphthyridine | CHEMBL2...) Show SMILES Cc1ccc(cc1C)-c1ccc2cccnc2n1 Show InChI InChI=1S/C16H14N2/c1-11-5-6-14(10-12(11)2)15-8-7-13-4-3-9-17-16(13)18-15/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization				Bioorg Med Chem Lett 17: 6525-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.083 BindingDB Entry DOI: 10.7270/Q2V40TXS
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50132260 (2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...) Show SMILES Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F Show InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50224929 (2-(3-bromophenyl)-7-methyl-1,8-naphthyridine | CHE...) Show SMILES Cc1ccc2ccc(nc2n1)-c1cccc(Br)c1 Show InChI InChI=1S/C15H11BrN2/c1-10-5-6-11-7-8-14(18-15(11)17-10)12-3-2-4-13(16)9-12/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	47.9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization				Bioorg Med Chem Lett 17: 6525-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.083 BindingDB Entry DOI: 10.7270/Q2V40TXS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50224922 (2-(3,5-dimethoxyphenyl)-7-methyl-1,8-naphthyridine...) Show SMILES COc1cc(OC)cc(c1)-c1ccc2ccc(C)nc2n1 Show InChI InChI=1S/C17H16N2O2/c1-11-4-5-12-6-7-16(19-17(12)18-11)13-8-14(20-2)10-15(9-13)21-3/h4-10H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51.7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization				Bioorg Med Chem Lett 17: 6525-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.083 BindingDB Entry DOI: 10.7270/Q2V40TXS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50224932 (3-methoxy-5-(1,5-naphthyridin-3-yl)benzonitrile | ...) Show SMILES COc1cc(cc(c1)-c1cnc2cccnc2c1)C#N Show InChI InChI=1S/C16H11N3O/c1-20-14-6-11(9-17)5-12(7-14)13-8-16-15(19-10-13)3-2-4-18-16/h2-8,10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization				Bioorg Med Chem Lett 17: 6525-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.083 BindingDB Entry DOI: 10.7270/Q2V40TXS
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476841 (CHEMBL234890) Show SMILES Cn1cc(C(=O)NCCCO)c(Nc2ccc(I)cc2F)cc1=O Show InChI InChI=1S/C16H17FIN3O3/c1-21-9-11(16(24)19-5-2-6-22)14(8-15(21)23)20-13-4-3-10(18)7-12(13)17/h3-4,7-9,20,22H,2,5-6H2,1H3,(H,19,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476825 (CHEMBL397811) Show SMILES CCOC(=O)c1cn(C)c(=O)cc1Nc1ccc(I)cc1F Show InChI InChI=1S/C15H14FIN2O3/c1-3-22-15(21)10-8-19(2)14(20)7-13(10)18-12-5-4-9(17)6-11(12)16/h4-8,18H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50224941 (2-(3,5-dimethoxyphenyl)-1,8-naphthyridine | CHEMBL...) Show SMILES COc1cc(OC)cc(c1)-c1ccc2cccnc2n1 Show InChI InChI=1S/C16H14N2O2/c1-19-13-8-12(9-14(10-13)20-2)15-6-5-11-4-3-7-17-16(11)18-15/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization				Bioorg Med Chem Lett 17: 6525-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.083 BindingDB Entry DOI: 10.7270/Q2V40TXS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50224940 (3-methoxy-5-(1,6-naphthyridin-7-yl)benzonitrile | ...) Show SMILES COc1cc(cc(c1)-c1cc2ncccc2cn1)C#N Show InChI InChI=1S/C16H11N3O/c1-20-14-6-11(9-17)5-13(7-14)16-8-15-12(10-19-16)3-2-4-18-15/h2-8,10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization				Bioorg Med Chem Lett 17: 6525-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.083 BindingDB Entry DOI: 10.7270/Q2V40TXS
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476816 (CHEMBL387574) Show SMILES OCCNC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C15H12F3IN2O2/c16-10-3-2-9(15(23)20-5-6-22)14(13(10)18)21-12-4-1-8(19)7-11(12)17/h1-4,7,21-22H,5-6H2,(H,20,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50216752 (3-(ethylthio)-5-(2-methylquinolin-7-yl)benzonitril...) Show SMILES CCSc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N Show InChI InChI=1S/C19H16N2S/c1-3-22-18-9-14(12-20)8-17(10-18)16-7-6-15-5-4-13(2)21-19(15)11-16/h4-11H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50216766 (3-(2-methylquinolin-7-yl)-5-(trifluoromethoxy)benz...) Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C18H11F3N2O/c1-11-2-3-13-4-5-14(9-17(13)23-11)15-6-12(10-22)7-16(8-15)24-18(19,20)21/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50216768 (3-(2-methoxyethoxy)-5-(2-methylquinolin-7-yl)benzo...) Show SMILES COCCOc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N Show InChI InChI=1S/C20H18N2O2/c1-14-3-4-16-5-6-17(12-20(16)22-14)18-9-15(13-21)10-19(11-18)24-8-7-23-2/h3-6,9-12H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 17: 4415-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.030 BindingDB Entry DOI: 10.7270/Q28G8KDC
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476816 (CHEMBL387574) Show SMILES OCCNC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C15H12F3IN2O2/c16-10-3-2-9(15(23)20-5-6-22)14(13(10)18)21-12-4-1-8(19)7-11(12)17/h1-4,7,21-22H,5-6H2,(H,20,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476845 (CHEMBL393282) Show SMILES NC(=O)c1cn(CC=C)c(=O)cc1Nc1ccc(I)cc1F Show InChI InChI=1S/C15H13FIN3O2/c1-2-5-20-8-10(15(18)22)13(7-14(20)21)19-12-4-3-9(17)6-11(12)16/h2-4,6-8,19H,1,5H2,(H2,18,22)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476839 (CHEMBL393283) Show SMILES Cn1cc(C(N)=O)c(Nc2ccc(Br)cc2F)cc1=O Show InChI InChI=1S/C13H11BrFN3O2/c1-18-6-8(13(16)20)11(5-12(18)19)17-10-3-2-7(14)4-9(10)15/h2-6,17H,1H3,(H2,16,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476841 (CHEMBL234890) Show SMILES Cn1cc(C(=O)NCCCO)c(Nc2ccc(I)cc2F)cc1=O Show InChI InChI=1S/C16H17FIN3O3/c1-21-9-11(16(24)19-5-2-6-22)14(8-15(21)23)20-13-4-3-10(18)7-12(13)17/h3-4,7-9,20,22H,2,5-6H2,1H3,(H,19,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476826 (CHEMBL243457) Show SMILES Cn1cc(C(N)=O)c(Nc2ccc(cc2F)C#C)cc1=O Show InChI InChI=1S/C15H12FN3O2/c1-3-9-4-5-12(11(16)6-9)18-13-7-14(20)19(2)8-10(13)15(17)21/h1,4-8,18H,2H3,(H2,17,21)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50476815 (CHEMBL396631) Show SMILES NC(=O)c1c[nH]c(=O)cc1Nc1ccc(I)cc1F Show InChI InChI=1S/C12H9FIN3O2/c13-8-3-6(14)1-2-9(8)17-10-4-11(18)16-5-7(10)12(15)19/h1-5H,(H2,15,19)(H2,16,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay				J Med Chem 50: 5090-102 (2007) Article DOI: 10.1021/jm0704548 BindingDB Entry DOI: 10.7270/Q2474DMT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50035622 ((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding of the compound at EP3 human prostaglandin receptor using [3H]-PGE-2 as radioligand				J Med Chem 44: 4157-69 (2001) BindingDB Entry DOI: 10.7270/Q2HT2NNP
					More data for this Ligand-Target Pair

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