Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'jakobsen' and Initial = 'p'   

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
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50418932 (CHEMBL1807354) Show SMILES [NH3+][C@@H](Cc1ccccc1)C(=O)C[C@@H](COC(=O)c1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C28H34N2O6/c29-23(16-19-10-4-1-5-11-19)24(31)17-22(18-36-28(35)21-14-8-3-9-15-21)26(32)30-25(27(33)34)20-12-6-2-7-13-20/h1,3-5,8-11,14-15,20,22-23,25H,2,6-7,12-13,16-18,29H2,(H,30,32)(H,33,34)/p+1/t22-,23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.68E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 4597-601 (2011) Article DOI: 10.1016/j.bmcl.2011.05.108 BindingDB Entry DOI: 10.7270/Q2VM4DHS
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50418933 (CHEMBL1807356) Show SMILES CCC[C@H](NC(=O)[C@H](COC(=O)c1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H29N3O6/c1-2-9-19(23(30)31)26-22(29)20(15-33-24(32)17-12-7-4-8-13-17)27-21(28)18(25)14-16-10-5-3-6-11-16/h3-8,10-13,18-20H,2,9,14-15,25H2,1H3,(H,26,29)(H,27,28)(H,30,31)/p+1/t18-,19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.23E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 4597-601 (2011) Article DOI: 10.1016/j.bmcl.2011.05.108 BindingDB Entry DOI: 10.7270/Q2VM4DHS
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50418934 (CHEMBL1807357) Show SMILES [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](COC(=O)c1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C27H33N3O6/c28-21(16-18-10-4-1-5-11-18)24(31)29-22(17-36-27(35)20-14-8-3-9-15-20)25(32)30-23(26(33)34)19-12-6-2-7-13-19/h1,3-5,8-11,14-15,19,21-23H,2,6-7,12-13,16-17,28H2,(H,29,31)(H,30,32)(H,33,34)/p+1/t21-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.45E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 4597-601 (2011) Article DOI: 10.1016/j.bmcl.2011.05.108 BindingDB Entry DOI: 10.7270/Q2VM4DHS
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50418935 (CHEMBL1807353) Show SMILES CCC[C@H](NC(=O)[C@H](COC(=O)c1ccccc1)CC(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C25H30N2O6/c1-2-9-21(24(30)31)27-23(29)19(16-33-25(32)18-12-7-4-8-13-18)15-22(28)20(26)14-17-10-5-3-6-11-17/h3-8,10-13,19-21H,2,9,14-16,26H2,1H3,(H,27,29)(H,30,31)/p+1/t19-,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 4597-601 (2011) Article DOI: 10.1016/j.bmcl.2011.05.108 BindingDB Entry DOI: 10.7270/Q2VM4DHS
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50418931 (CHEMBL1807351) Show SMILES C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C15H21N3O5/c1-9(15(22)23)17-14(21)12(8-19)18-13(20)11(16)7-10-5-3-2-4-6-10/h2-6,9,11-12,19H,7-8,16H2,1H3,(H,17,21)(H,18,20)(H,22,23)/t9-,11-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.57E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 4597-601 (2011) Article DOI: 10.1016/j.bmcl.2011.05.108 BindingDB Entry DOI: 10.7270/Q2VM4DHS
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50418936 (CHEMBL1807352) Show SMILES C[C@H](NC(=O)[C@H](COC(=O)c1ccccc1)CC(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H26N2O6/c1-15(22(28)29)25-21(27)18(14-31-23(30)17-10-6-3-7-11-17)13-20(26)19(24)12-16-8-4-2-5-9-16/h2-11,15,18-19H,12-14,24H2,1H3,(H,25,27)(H,28,29)/p+1/t15-,18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.24E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 4597-601 (2011) Article DOI: 10.1016/j.bmcl.2011.05.108 BindingDB Entry DOI: 10.7270/Q2VM4DHS
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103118 (CHEMBL66059 | N,N-Dibenzyl-N'-[1-(5-chloro-thiophe...) Show SMILES Clc1ccc(\C=N\N(Cc2ccccc2)Cc2ccccc2)s1 Show InChI InChI=1S/C19H17ClN2S/c20-19-12-11-18(23-19)13-21-22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2/b21-13+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103125 (CHEMBL69115 | N,N-Dibenzyl-N'-[1-(4-methoxy-phenyl...) Show SMILES COc1ccc(\C=N\N(Cc2ccccc2)Cc2ccccc2)cc1 Show InChI InChI=1S/C22H22N2O/c1-25-22-14-12-19(13-15-22)16-23-24(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-16H,17-18H2,1H3/b23-16+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103111 (CHEMBL69665 | N,N-Dibenzyl-N'-[1-(4-chloro-phenyl)...) Show SMILES Clc1ccc(\C=N\N(Cc2ccccc2)Cc2ccccc2)cc1 Show InChI InChI=1S/C21H19ClN2/c22-21-13-11-18(12-14-21)15-23-24(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-15H,16-17H2/b23-15+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103119 (CHEMBL302504 | N,N-Dibenzyl-N'-[1-(5-ethyl-furan-2...) Show SMILES CCc1ccc(\C=N\N(Cc2ccccc2)Cc2ccccc2)o1 Show InChI InChI=1S/C21H22N2O/c1-2-20-13-14-21(24-20)15-22-23(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3/b22-15+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103107 (CHEMBL65842 | N,N-Dibenzyl-N'-[1-(3-methoxy-phenyl...) Show SMILES COc1cccc(\C=N\N(Cc2ccccc2)Cc2ccccc2)c1 Show InChI InChI=1S/C22H22N2O/c1-25-22-14-8-13-21(15-22)16-23-24(17-19-9-4-2-5-10-19)18-20-11-6-3-7-12-20/h2-16H,17-18H2,1H3/b23-16+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103128 (CHEMBL68984 | N,N-Dibenzyl-N'-[1-furan-2-yl-meth-(...) Show SMILES C(N(Cc1ccccc1)\N=C\c1ccco1)c1ccccc1 Show InChI InChI=1S/C19H18N2O/c1-3-8-17(9-4-1)15-21(16-18-10-5-2-6-11-18)20-14-19-12-7-13-22-19/h1-14H,15-16H2/b20-14+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103106 (CHEMBL69480 | N,N-Dibenzyl-N'-[1-thiophen-2-yl-met...) Show SMILES C(N(Cc1ccccc1)\N=C\c1cccs1)c1ccccc1 Show InChI InChI=1S/C19H18N2S/c1-3-8-17(9-4-1)15-21(16-18-10-5-2-6-11-18)20-14-19-12-7-13-22-19/h1-14H,15-16H2/b20-14+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103122 (CHEMBL69334 | N,N-Dibenzyl-N'-[1-phenyl-meth-(E)-y...) Show SMILES C(N(Cc1ccccc1)\N=C\c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H20N2/c1-4-10-19(11-5-1)16-22-23(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-16H,17-18H2/b22-16+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103110 (CHEMBL305258 | N,N-Dibenzyl-N'-[1-(3,4-dichloro-ph...) Show SMILES Clc1ccc(\C=N\N(Cc2ccccc2)Cc2ccccc2)cc1Cl Show InChI InChI=1S/C21H18Cl2N2/c22-20-12-11-19(13-21(20)23)14-24-25(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2/b24-14+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103114 (CHEMBL69541 | N,N-Dibenzyl-N'-[1-cyclohexyl-meth-(...) Show SMILES C(N(Cc1ccccc1)N=CC1CCCCC1)c1ccccc1 |w:10.11| Show InChI InChI=1S/C21H26N2/c1-4-10-19(11-5-1)16-22-23(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h2-3,6-9,12-16,19H,1,4-5,10-11,17-18H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103115 (4-(Dibenzyl-hydrazonomethyl)-phenol | CHEMBL70032) Show SMILES Oc1ccc(\C=N\N(Cc2ccccc2)Cc2ccccc2)cc1 Show InChI InChI=1S/C21H20N2O/c24-21-13-11-18(12-14-21)15-22-23(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-15,24H,16-17H2/b22-15+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103126 (CHEMBL68011 | N,N-Dibenzyl-N'-[1-pyridin-3-yl-meth...) Show SMILES C(N(Cc1ccccc1)\N=C\c1cccnc1)c1ccccc1 Show InChI InChI=1S/C20H19N3/c1-3-8-18(9-4-1)16-23(17-19-10-5-2-6-11-19)22-15-20-12-7-13-21-14-20/h1-15H,16-17H2/b22-15+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50030630 ((RS)-1-aminoindan-1,5-dicarboxylic acid | 1-Amino-...) Show SMILES NC1(CCc2cc(ccc12)C(O)=O)C(O)=O Show InChI InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Ability to inhibit mGluR1-alpha-mediated PI (phospho inosotol) hydrolysis was determined at BHK cells at 100 Micro M Concentration				J Med Chem 38: 3717-9 (1995) BindingDB Entry DOI: 10.7270/Q2V123TG
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103120 (CHEMBL69497 | N,N-Dibenzyl-N'-[1-pyridin-2-yl-meth...) Show SMILES C(N(Cc1ccccc1)\N=C\c1ccccn1)c1ccccc1 Show InChI InChI=1S/C20H19N3/c1-3-9-18(10-4-1)16-23(17-19-11-5-2-6-12-19)22-15-20-13-7-8-14-21-20/h1-15H,16-17H2/b22-15+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103124 (CHEMBL67272 | [5-(Dibenzyl-hydrazonomethyl)-furan-...) Show SMILES OCc1ccc(\C=N\N(Cc2ccccc2)Cc2ccccc2)o1 Show InChI InChI=1S/C20H20N2O2/c23-16-20-12-11-19(24-20)13-21-22(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,23H,14-16H2/b21-13+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103112 (CHEMBL71650 | N,N-Dibenzyl-N'-[1-pyridin-4-yl-meth...) Show SMILES C(N(Cc1ccccc1)\N=C\c1ccncc1)c1ccccc1 Show InChI InChI=1S/C20H19N3/c1-3-7-19(8-4-1)16-23(17-20-9-5-2-6-10-20)22-15-18-11-13-21-14-12-18/h1-15H,16-17H2/b22-15+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103121 (CHEMBL419070 | N,N-Dibenzyl-N'-[1-phenyl-eth-(E)-y...) Show SMILES CC(=NN(Cc1ccccc1)Cc1ccccc1)c1ccccc1 |w:2.2| Show InChI InChI=1S/C22H22N2/c1-19(22-15-9-4-10-16-22)23-24(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16H,17-18H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103109 (CHEMBL66774 | N,N-Dibenzyl-N'-[3,4-dihydro-2H-naph...) Show SMILES C(N(Cc1ccccc1)N=C1CCCc2ccccc12)c1ccccc1 |w:9.9| Show InChI InChI=1S/C24H24N2/c1-3-10-20(11-4-1)18-26(19-21-12-5-2-6-13-21)25-24-17-9-15-22-14-7-8-16-23(22)24/h1-8,10-14,16H,9,15,17-19H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50030628 ((S)-4C3HPG | 4-(Amino-carboxy-methyl)-2-hydroxy-be...) Show SMILES NC(C(O)=O)c1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Ability to inhibit mGluR1-alpha-mediated PI (phospho inosotol) hydrolysis was determined at BHK cells at 100 Micro M Concentration				J Med Chem 38: 3717-9 (1995) BindingDB Entry DOI: 10.7270/Q2V123TG
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50030628 ((S)-4C3HPG | 4-(Amino-carboxy-methyl)-2-hydroxy-be...) Show SMILES NC(C(O)=O)c1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Ability to inhibit mGluR2-alpha induced cAMP formation was determined at BHK cells at 100 Micro M Concentration				J Med Chem 38: 3717-9 (1995) BindingDB Entry DOI: 10.7270/Q2V123TG
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103116 (CHEMBL68981 | N,N-Dibenzyl-N'-[6-methoxy-3,4-dihyd...) Show SMILES COc1ccc2C(CCCc2c1)=NN(Cc1ccccc1)Cc1ccccc1 |w:12.14| Show InChI InChI=1S/C25H26N2O/c1-28-23-15-16-24-22(17-23)13-8-14-25(24)26-27(18-20-9-4-2-5-10-20)19-21-11-6-3-7-12-21/h2-7,9-12,15-17H,8,13-14,18-19H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50030629 ((R,S)-4-Carboxy-3-hydroxyphenylglycine | (S)-4CPG ...) Show SMILES NC(C(O)=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Ability to inhibit mGluR1-alpha-mediated PI (phospho inosotol) hydrolysis was determined at BHK cells at 100 Micro M Concentration				J Med Chem 38: 3717-9 (1995) BindingDB Entry DOI: 10.7270/Q2V123TG
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103127 (CHEMBL69742 | N,N-Dibenzyl-N'-[1-(5-nitro-furan-2-...) Show SMILES [#8-]-[#7+](=O)-c1ccc(-[#6-]\[#7]=[#7+](/[#6]-c2ccccc2)-[#6]-c2ccccc2)o1 Show InChI InChI=1S/C19H17N3O3/c23-22(24)19-12-11-18(25-19)13-20-21(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103123 (CHEMBL68153 | N,N-Dibenzyl-N'-[2-phenyl-eth-(E)-yl...) Show SMILES C(C=NN(Cc1ccccc1)Cc1ccccc1)c1ccccc1 |w:1.0| Show InChI InChI=1S/C22H22N2/c1-4-10-20(11-5-1)16-17-23-24(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22/h1-15,17H,16,18-19H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103117 (CHEMBL302496 | N,N-Dibenzyl-N'-[1-(3,5-dichloro-ph...) Show SMILES Clc1cc(Cl)cc(\C=N\N(Cc2ccccc2)Cc2ccccc2)c1 Show InChI InChI=1S/C21H18Cl2N2/c22-20-11-19(12-21(23)13-20)14-24-25(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2/b24-14+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103108 (CHEMBL304503 | N,N-Dibenzyl-N'-[1-(2-methoxy-pheny...) Show SMILES COc1ccccc1\C=N\N(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C22H22N2O/c1-25-22-15-9-8-14-21(22)16-23-24(17-19-10-4-2-5-11-19)18-20-12-6-3-7-13-20/h2-16H,17-18H2,1H3/b23-16+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1 (Homo sapiens (Human))	BDBM50103113 (CHEMBL69758 | [4-(Dibenzyl-hydrazonomethyl)-phenyl...) Show SMILES CN(C)c1ccc(\C=N\N(Cc2ccccc2)Cc2ccccc2)cc1 Show InChI InChI=1S/C23H25N3/c1-25(2)23-15-13-20(14-16-23)17-24-26(18-21-9-5-3-6-10-21)19-22-11-7-4-8-12-22/h3-17H,18-19H2,1-2H3/b24-17+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.				Bioorg Med Chem Lett 11: 2165-7 (2001) BindingDB Entry DOI: 10.7270/Q2M61JJF
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50030627 ((+-)-MCPG | (R,S)-alpha-Methyl-4-carboxyphenylglyc...) Show SMILES CC(N)(C(O)=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Ability to inhibit mGluR1-alpha-mediated PI (phospho inosotol) hydrolysis was determined at BHK cells at 100 Micro M Concentration				J Med Chem 38: 3717-9 (1995) BindingDB Entry DOI: 10.7270/Q2V123TG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50030627 ((+-)-MCPG | (R,S)-alpha-Methyl-4-carboxyphenylglyc...) Show SMILES CC(N)(C(O)=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Ability to inhibit mGluR2-alpha induced cAMP formation was determined at BHK cells at 100 Micro M Concentration				J Med Chem 38: 3717-9 (1995) BindingDB Entry DOI: 10.7270/Q2V123TG
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50030629 ((R,S)-4-Carboxy-3-hydroxyphenylglycine | (S)-4CPG ...) Show SMILES NC(C(O)=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.77E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Ability to inhibit mGluR2-alpha induced cAMP formation was determined at BHK cells at 100 Micro M Concentration				J Med Chem 38: 3717-9 (1995) BindingDB Entry DOI: 10.7270/Q2V123TG
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50030627 ((+-)-MCPG | (R,S)-alpha-Methyl-4-carboxyphenylglyc...) Show SMILES CC(N)(C(O)=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Ability to inhibit mGluR4-alpha induced cAMP formation was determined at BHK cells at 100 Micro M Concentration				J Med Chem 38: 3717-9 (1995) BindingDB Entry DOI: 10.7270/Q2V123TG
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50030629 ((R,S)-4-Carboxy-3-hydroxyphenylglycine | (S)-4CPG ...) Show SMILES NC(C(O)=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Ability to inhibit mGluR4-alpha induced cAMP formation was determined at BHK cells at 100 Micro M Concentration				J Med Chem 38: 3717-9 (1995) BindingDB Entry DOI: 10.7270/Q2V123TG
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50030628 ((S)-4C3HPG | 4-(Amino-carboxy-methyl)-2-hydroxy-be...) Show SMILES NC(C(O)=O)c1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Ability to inhibit mGluR4-alpha induced cAMP formation was determined at BHK cells at 100 Micro M Concentration				J Med Chem 38: 3717-9 (1995) BindingDB Entry DOI: 10.7270/Q2V123TG
					More data for this Ligand-Target Pair