Compile Data Set for Download or QSAR

Found 193 hits with Last Name = 'linares' and Initial = 'm'   

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 2 (Homo sapiens (Human))	BDBM50399088 (CHEMBL2179319) Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-phenyl-1-piperidinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine from mGlu2 receptor (unkno...				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50194617 (CHEMBL3926416) Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1 Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-phenyl-1-piperidinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine from mGlu2 receptor (unkno...				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50051408 (CHEMBL3337527 | US11071729, Compound 2) Show SMILES CCCCn1ccc(N2CCC(CC2)c2ccccc2)c(Cl)c1=O Show InChI InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-phenyl-1-piperidinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine from mGlu2 receptor (unkno...				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50292582 (CHEMBL4162427) Show SMILES CO[C@H]1O[C@H](CNS(=O)(=O)CCNC(N)=N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H22N4O7S/c1-20-9-8(17)7(16)6(15)5(21-9)4-14-22(18,19)3-2-13-10(11)12/h5-9,14-17H,2-4H2,1H3,(H4,11,12,13)/t5-,6-,7+,8-,9+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr...				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50292584 (CHEMBL4172694) Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCCNC(N)=N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H23N3O7S/c1-20-10-9(17)8(16)7(15)6(21-10)5-22(18,19)4-2-3-14-11(12)13/h6-10,15-17H,2-5H2,1H3,(H4,12,13,14)/t6-,7-,8+,9-,10+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr...				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase (Plasmodium falciparum (isolate 3D7))	BDBM50292583 (CHEMBL4164794) Show SMILES CO[C@H]1O[C@H](CNS(=O)(=O)CCN)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H20N2O7S/c1-17-9-8(14)7(13)6(12)5(18-9)4-11-19(15,16)3-2-10/h5-9,11-14H,2-4,10H2,1H3/t5-,6-,7+,8-,9+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysis				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase (Plasmodium falciparum (isolate 3D7))	BDBM50292582 (CHEMBL4162427) Show SMILES CO[C@H]1O[C@H](CNS(=O)(=O)CCNC(N)=N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H22N4O7S/c1-20-9-8(17)7(16)6(15)5(21-9)4-14-22(18,19)3-2-13-10(11)12/h5-9,14-17H,2-4H2,1H3,(H4,11,12,13)/t5-,6-,7+,8-,9+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysis				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase (Plasmodium falciparum (isolate 3D7))	BDBM50292585 (CHEMBL4161382) Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCCN)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H21NO7S/c1-17-10-9(14)8(13)7(12)6(18-10)5-19(15,16)4-2-3-11/h6-10,12-14H,2-5,11H2,1H3/t6-,7-,8+,9-,10+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.44E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysis				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50292585 (CHEMBL4161382) Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCCN)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H21NO7S/c1-17-10-9(14)8(13)7(12)6(18-10)5-19(15,16)4-2-3-11/h6-10,12-14H,2-5,11H2,1H3/t6-,7-,8+,9-,10+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.54E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of VLA-4 expressed in Jurkat cell line, in a cell-based adhesion assay.				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase (Plasmodium falciparum (isolate 3D7))	BDBM50292584 (CHEMBL4172694) Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCCNC(N)=N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H23N3O7S/c1-20-10-9(17)8(16)7(15)6(21-10)5-22(18,19)4-2-3-14-11(12)13/h6-10,15-17H,2-5H2,1H3,(H4,12,13,14)/t6-,7-,8+,9-,10+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysis				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase (Plasmodium falciparum (isolate 3D7))	BDBM50292590 (CHEMBL4162165) Show SMILES CO[C@H]1O[C@H](CSCCNC(N)=N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H21N3O5S/c1-17-9-8(16)7(15)6(14)5(18-9)4-19-3-2-13-10(11)12/h5-9,14-16H,2-4H2,1H3,(H4,11,12,13)/t5-,6-,7+,8-,9+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.56E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysis				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase (Plasmodium falciparum (isolate 3D7))	BDBM50292586 (CHEMBL4169301) Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCC#N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H17NO7S/c1-17-10-9(14)8(13)7(12)6(18-10)5-19(15,16)4-2-3-11/h6-10,12-14H,2,4-5H2,1H3/t6-,7-,8+,9-,10+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.88E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysis				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase (Plasmodium falciparum (isolate 3D7))	BDBM50292580 (CHEMBL4172838) Show SMILES CO[C@H]1O[C@H](CSCCN)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H19NO5S/c1-14-9-8(13)7(12)6(11)5(15-9)4-16-3-2-10/h5-9,11-13H,2-4,10H2,1H3/t5-,6-,7+,8-,9+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.61E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysis				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50292587 (CHEMBL4167547) Show SMILES CO[C@H]1O[C@H](CSCCCN)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H21NO5S/c1-15-10-9(14)8(13)7(12)6(16-10)5-17-4-2-3-11/h6-10,12-14H,2-5,11H2,1H3/t6-,7-,8+,9-,10+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr...				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50292586 (CHEMBL4169301) Show SMILES CO[C@H]1O[C@H](CS(=O)(=O)CCC#N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H17NO7S/c1-17-10-9(14)8(13)7(12)6(18-10)5-19(15,16)4-2-3-11/h6-10,12-14H,2,4-5H2,1H3/t6-,7-,8+,9-,10+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr...				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50292590 (CHEMBL4162165) Show SMILES CO[C@H]1O[C@H](CSCCNC(N)=N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H21N3O5S/c1-17-9-8(16)7(15)6(14)5(18-9)4-19-3-2-13-10(11)12/h5-9,14-16H,2-4H2,1H3,(H4,11,12,13)/t5-,6-,7+,8-,9+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr...				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50292589 (CHEMBL4159624) Show SMILES CO[C@H]1O[C@H](CSCCC#N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H17NO5S/c1-15-10-9(14)8(13)7(12)6(16-10)5-17-4-2-3-11/h6-10,12-14H,2,4-5H2,1H3/t6-,7-,8+,9-,10+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr...				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase (Plasmodium falciparum (isolate 3D7))	BDBM50292589 (CHEMBL4159624) Show SMILES CO[C@H]1O[C@H](CSCCC#N)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H17NO5S/c1-15-10-9(14)8(13)7(12)6(16-10)5-17-4-2-3-11/h6-10,12-14H,2,4-5H2,1H3/t6-,7-,8+,9-,10+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.59E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysis				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase (Plasmodium falciparum (isolate 3D7))	BDBM50292587 (CHEMBL4167547) Show SMILES CO[C@H]1O[C@H](CSCCCN)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H21NO5S/c1-15-10-9(14)8(13)7(12)6(16-10)5-17-4-2-3-11/h6-10,12-14H,2-5,11H2,1H3/t6-,7-,8+,9-,10+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.89E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysis				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50292583 (CHEMBL4164794) Show SMILES CO[C@H]1O[C@H](CNS(=O)(=O)CCN)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H20N2O7S/c1-17-9-8(14)7(13)6(12)5(18-9)4-11-19(15,16)3-2-10/h5-9,11-14H,2-4,10H2,1H3/t5-,6-,7+,8-,9+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr...				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50292580 (CHEMBL4172838) Show SMILES CO[C@H]1O[C@H](CSCCN)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H19NO5S/c1-14-9-8(13)7(12)6(11)5(15-9)4-16-3-2-10/h5-9,11-13H,2-4,10H2,1H3/t5-,6-,7+,8-,9+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetr...				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50399088 (CHEMBL2179319) Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Binding affinity to human mGlu2R expressed in CHO cells by radioligand binding assay				J Med Chem 55: 8770-89 (2012) Article DOI: 10.1021/jm3010724 BindingDB Entry DOI: 10.7270/Q26111FF
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50051408 (CHEMBL3337527 | US11071729, Compound 2) Show SMILES CCCCn1ccc(N2CCC(CC2)c2ccccc2)c(Cl)c1=O Show InChI InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Displacement of [3H]19 from human mGlu2 receptor expressed in CHO cells				J Med Chem 57: 6495-512 (2014) Article DOI: 10.1021/jm500496m BindingDB Entry DOI: 10.7270/Q2DJ5H8J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase (Plasmodium falciparum (isolate 3D7))	BDBM50292581 (CHEMBL4165870) Show SMILES CCN1CCC[C@@H]1CNC(=O)c1ccc2Sc3c(C)cccc3C(=O)Nc2c1 |r| Show InChI InChI=1S/C22H25N3O2S/c1-3-25-11-5-7-16(25)13-23-21(26)15-9-10-19-18(12-15)24-22(27)17-8-4-6-14(2)20(17)28-19/h4,6,8-10,12,16H,3,5,7,11,13H2,1-2H3,(H,23,26)(H,24,27)/t16-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Competitive inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by Lineweaver-Burk plot analysis				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50511341 (CHEMBL4483761) Show SMILES CCOc1cc(nnc1C(F)(F)F)N1CCC2(CC1)C(=O)Nc1ccc(Br)cc21 Show InChI InChI=1S/C19H18BrF3N4O2/c1-2-29-14-10-15(25-26-16(14)19(21,22)23)27-7-5-18(6-8-27)12-9-11(20)3-4-13(12)24-17(18)28/h3-4,9-10H,2,5-8H2,1H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Division of Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Displacement of [3H]RX 821002 from human recombinant adrenergic alpha-2B receptor expressed in CHO cells				ACS Med Chem Lett 11: 303-308 (2020) Article DOI: 10.1021/acsmedchemlett.9b00350 BindingDB Entry DOI: 10.7270/Q2GB27DF
					More data for this Ligand-Target Pair
Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase (Plasmodium falciparum (isolate 3D7))	BDBM50396489 (CHEMBL2170943) Show SMILES CCN1CCC[C@@H]1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 |r| Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-/t17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Competitive inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by Lineweaver-Burk plot analysis				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50399088 (CHEMBL2179319) Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 55: 8770-89 (2012) Article DOI: 10.1021/jm3010724 BindingDB Entry DOI: 10.7270/Q26111FF
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50399088 (CHEMBL2179319) Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 55: 8770-89 (2012) Article DOI: 10.1021/jm3010724 BindingDB Entry DOI: 10.7270/Q26111FF
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50194617 (CHEMBL3926416) Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1 Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50194617 (CHEMBL3926416) Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1 Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50194617 (CHEMBL3926416) Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1 Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50194617 (CHEMBL3926416) Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1 Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50194617 (CHEMBL3926416) Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1 Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50194617 (CHEMBL3926416) Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1 Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50399088 (CHEMBL2179319) Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 55: 8770-89 (2012) Article DOI: 10.1021/jm3010724 BindingDB Entry DOI: 10.7270/Q26111FF
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50399088 (CHEMBL2179319) Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 55: 8770-89 (2012) Article DOI: 10.1021/jm3010724 BindingDB Entry DOI: 10.7270/Q26111FF
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50399088 (CHEMBL2179319) Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 55: 8770-89 (2012) Article DOI: 10.1021/jm3010724 BindingDB Entry DOI: 10.7270/Q26111FF
					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50396489 (CHEMBL2170943) Show SMILES CCN1CCC[C@@H]1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 |r| Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Competitive inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by Linew...				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50292581 (CHEMBL4165870) Show SMILES CCN1CCC[C@@H]1CNC(=O)c1ccc2Sc3c(C)cccc3C(=O)Nc2c1 |r| Show InChI InChI=1S/C22H25N3O2S/c1-3-25-11-5-7-16(25)13-23-21(26)15-9-10-19-18(12-15)24-22(27)17-8-4-6-14(2)20(17)28-19/h4,6,8-10,12,16H,3,5,7,11,13H2,1-2H3,(H,23,26)(H,24,27)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Competitive inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by Linew...				Eur J Med Chem 146: 108-122 (2018) Article DOI: 10.1016/j.ejmech.2018.01.044 BindingDB Entry DOI: 10.7270/Q2CN76FJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50415239 (CHEMBL593168) Show SMILES FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(NC2CC2)c(Cl)c1 Show InChI InChI=1S/C19H14ClF3N4/c20-16-7-11(1-4-17(16)26-12-2-3-12)14-5-6-27-13(8-19(21,22)23)10-25-18(27)15(14)9-24/h1,4-7,10,12,26H,2-3,8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	141	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Allosteric modulation of human mGluR2 expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 20: 175-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.008 BindingDB Entry DOI: 10.7270/Q2W95BD6
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50393310 (CHEMBL605921) Show SMILES FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H14F3N3O/c23-22(24,25)12-16-14-27-21-20(13-26)19(10-11-28(16)21)15-6-8-18(9-7-15)29-17-4-2-1-3-5-17/h1-11,14H,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	186	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Allosteric modulation of human mGluR2 expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 20: 175-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.008 BindingDB Entry DOI: 10.7270/Q2W95BD6
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50194613 (CHEMBL3947764) Show SMILES FC(F)(F)c1c(CN2CCC(CC2)c2ccccc2)ccn2c(CC3CC3)nnc12 Show InChI InChI=1S/C23H25F3N4/c24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu2 receptor expressed in CHO cell membranes assessed as potentiation of glutamate-induced effect incubated...				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50194614 (CHEMBL3901998) Show SMILES CC1(CCCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)C1)c1ccccc1 Show InChI InChI=1S/C24H27F3N4/c1-23(19-6-3-2-4-7-19)11-5-12-30(16-23)15-18-10-13-31-20(14-17-8-9-17)28-29-22(31)21(18)24(25,26)27/h2-4,6-7,10,13,17H,5,8-9,11-12,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu2 receptor expressed in CHO cell membranes assessed as potentiation of glutamate-induced effect incubated...				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50194615 (CHEMBL3940264) Show SMILES Fc1ccc([C@H]2CC[C@@H](CC2)NCc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)c(F)c1 |r,wU:5.4,wD:8.11,(20.7,-24.55,;22.03,-23.78,;22.04,-22.24,;23.38,-21.48,;24.7,-22.26,;26.04,-21.5,;26.05,-19.96,;27.38,-19.19,;28.72,-19.97,;28.72,-21.51,;27.37,-22.28,;30.06,-19.2,;30.05,-17.66,;31.38,-16.9,;32.72,-17.67,;34.05,-16.9,;34.05,-15.35,;35.18,-14.31,;36.69,-14.63,;37.72,-13.48,;39.17,-12.99,;38.02,-11.97,;34.55,-12.91,;33.02,-13.08,;32.71,-14.58,;31.38,-15.35,;30.05,-14.58,;30.05,-13.04,;28.72,-15.36,;28.71,-13.81,;24.7,-23.79,;26.04,-24.56,;23.37,-24.56,)| Show InChI InChI=1S/C24H25F5N4/c25-17-5-8-19(20(26)12-17)15-3-6-18(7-4-15)30-13-16-9-10-33-21(11-14-1-2-14)31-32-23(33)22(16)24(27,28)29/h5,8-10,12,14-15,18,30H,1-4,6-7,11,13H2/t15-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	83	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu2 receptor expressed in CHO cell membranes assessed as potentiation of glutamate-induced effect incubated...				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50194616 (CHEMBL3956434) Show SMILES FC(F)(F)c1c(CN2CCC(CC2)(c2ccccc2)C(F)(F)F)ccn2c(CC3CC3)nnc12 Show InChI InChI=1S/C24H24F6N4/c25-23(26,27)20-17(8-11-34-19(14-16-6-7-16)31-32-21(20)34)15-33-12-9-22(10-13-33,24(28,29)30)18-4-2-1-3-5-18/h1-5,8,11,16H,6-7,9-10,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	58	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu2 receptor expressed in CHO cell membranes assessed as potentiation of glutamate-induced effect incubated...				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50194617 (CHEMBL3926416) Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1 Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	78	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu2 receptor expressed in CHO cell membranes assessed as potentiation of glutamate-induced effect incubated...				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50194618 (CHEMBL3937907 | US20240050427, Compound 1) Show SMILES Cc1cc(cc2CN(Cc3ccc(OC(F)(F)F)cc3)C(=O)c12)-c1nc(CN2CCNCC2)no1 Show InChI InChI=1S/C24H24F3N5O3/c1-15-10-17(22-29-20(30-35-22)14-31-8-6-28-7-9-31)11-18-13-32(23(33)21(15)18)12-16-2-4-19(5-3-16)34-24(25,26)27/h2-5,10-11,28H,6-9,12-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	195	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu2 receptor expressed in CHO cell membranes assessed as potentiation of glutamate-induced effect incubated...				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50194662 (CHEMBL3957311) Show SMILES FC(F)(F)c1c(CN2CCN(CC2)c2ccc(Cl)cc2Cl)ccn2c(CC3CC3)nnc12 Show InChI InChI=1S/C22H22Cl2F3N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu2 receptor expressed in CHO cell membranes assessed as potentiation of glutamate-induced effect incubated...				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50399088 (CHEMBL2179319) Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu2 receptor expressed in CHO cell membranes assessed as potentiation of glutamate-induced effect incubated...				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50194664 (CHEMBL3919978) Show SMILES FC(F)(F)c1c(CN2CCC(F)(CC2)c2ccccc2)ccn2c(CC3CC3)nnc12 Show InChI InChI=1S/C23H24F4N4/c24-22(18-4-2-1-3-5-18)9-12-30(13-10-22)15-17-8-11-31-19(14-16-6-7-16)28-29-21(31)20(17)23(25,26)27/h1-5,8,11,16H,6-7,9-10,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	132	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu2 receptor expressed in CHO cell membranes assessed as potentiation of glutamate-induced effect incubated...				J Med Chem 59: 8495-507 (2016) Article DOI: 10.1021/acs.jmedchem.6b00913 BindingDB Entry DOI: 10.7270/Q27M09WC
					More data for this Ligand-Target Pair

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