Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'avery' and Initial = 'td'   

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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50516168 (CHEMBL4541269) Show SMILES COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C Show InChI InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bionomics Limited Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				ACS Med Chem Lett 10: 754-760 (2019) Article DOI: 10.1021/acsmedchemlett.9b00001 BindingDB Entry DOI: 10.7270/Q25D8W77
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50516168 (CHEMBL4541269) Show SMILES COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C Show InChI InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bionomics Limited Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				ACS Med Chem Lett 10: 754-760 (2019) Article DOI: 10.1021/acsmedchemlett.9b00001 BindingDB Entry DOI: 10.7270/Q25D8W77
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50516168 (CHEMBL4541269) Show SMILES COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C Show InChI InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bionomics Limited Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 10: 754-760 (2019) Article DOI: 10.1021/acsmedchemlett.9b00001 BindingDB Entry DOI: 10.7270/Q25D8W77
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50516168 (CHEMBL4541269) Show SMILES COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C Show InChI InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bionomics Limited Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				ACS Med Chem Lett 10: 754-760 (2019) Article DOI: 10.1021/acsmedchemlett.9b00001 BindingDB Entry DOI: 10.7270/Q25D8W77
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50516168 (CHEMBL4541269) Show SMILES COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C Show InChI InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bionomics Limited Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 10: 754-760 (2019) Article DOI: 10.1021/acsmedchemlett.9b00001 BindingDB Entry DOI: 10.7270/Q25D8W77
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50326793 ((+/-)(1S,2S,3R)-2-[(S)-Amino(carboxy)methyl]-3-cyc...) Show SMILES N[C@@H]([C@H]1[C@H]([C@@H]1C(O)=O)C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C12H19NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h6-10H,1-5,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Antagonist activity at mGlu2 receptor expressed in CHO cells assessed as increase of cAMP level				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50326793 ((+/-)(1S,2S,3R)-2-[(S)-Amino(carboxy)methyl]-3-cyc...) Show SMILES N[C@@H]([C@H]1[C@H]([C@@H]1C(O)=O)C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C12H19NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h6-10H,1-5,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Agonist activity at mGlu4 receptor expressed in CHO cells assessed as inhibition of forskolin-induced increase of cAMP level				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50516168 (CHEMBL4541269) Show SMILES COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C Show InChI InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Bionomics Limited Curated by ChEMBL					Assay Description Positive allosteric modulatory activity at rat alpha7 nAChR expressed in GH4C1 cells assessed as potentiation of acetylcholine response at -70 mV hol...				ACS Med Chem Lett 10: 754-760 (2019) Article DOI: 10.1021/acsmedchemlett.9b00001 BindingDB Entry DOI: 10.7270/Q25D8W77
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50516169 (CHEMBL4435397) Show SMILES COc1ccc(Cl)cc1NC[C@H]1[C@H](c2ccc(cc2)S(N)(=O)=O)C1(C)C |r| Show InChI InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)/t15-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
Bionomics Limited Curated by ChEMBL					Assay Description Positive allosteric modulatory activity at rat alpha7 nAChR expressed in GH4C1 cells assessed as potentiation of acetylcholine response at -70 mV hol...				ACS Med Chem Lett 10: 754-760 (2019) Article DOI: 10.1021/acsmedchemlett.9b00001 BindingDB Entry DOI: 10.7270/Q25D8W77
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50516170 (CHEMBL4456125) Show SMILES COc1ccc(Cl)cc1NC[C@@H]1[C@@H](c2ccc(cc2)S(N)(=O)=O)C1(C)C |r| Show InChI InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
Bionomics Limited Curated by ChEMBL					Assay Description Positive allosteric modulatory activity at rat alpha7 nAChR expressed in GH4C1 cells assessed as potentiation of acetylcholine response at -70 mV hol...				ACS Med Chem Lett 10: 754-760 (2019) Article DOI: 10.1021/acsmedchemlett.9b00001 BindingDB Entry DOI: 10.7270/Q25D8W77
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50326794 ((+/-)(1R,2S,3S)-3-[(S)-amino(carboxy)-methyl]-1,10...) Show SMILES N[C@@H]([C@H]1[C@@H](C2CC2)[C@@H]1C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H13NO4/c10-7(9(13)14)5-4(3-1-2-3)6(5)8(11)12/h3-7H,1-2,10H2,(H,11,12)(H,13,14)/t4-,5+,6+,7+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Agonist activity at mGlu4 receptor expressed in CHO cells assessed as inhibition of forskolin-induced increase of cAMP level				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50138781 ((1S,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-methyl-c...) Show SMILES C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O Show InChI InChI=1S/C7H11NO4/c1-2-3(4(2)6(9)10)5(8)7(11)12/h2-5H,8H2,1H3,(H,9,10)(H,11,12)/t2-,3+,4+,5+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Agonist activity at mGlu4 receptor expressed in CHO cells assessed as inhibition of forskolin-induced increase of cAMP level				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50326794 ((+/-)(1R,2S,3S)-3-[(S)-amino(carboxy)-methyl]-1,10...) Show SMILES N[C@@H]([C@H]1[C@@H](C2CC2)[C@@H]1C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H13NO4/c10-7(9(13)14)5-4(3-1-2-3)6(5)8(11)12/h3-7H,1-2,10H2,(H,11,12)(H,13,14)/t4-,5+,6+,7+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>50	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Agonist activity at mGlu2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced increase of cAMP level				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50138781 ((1S,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-methyl-c...) Show SMILES C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O Show InChI InChI=1S/C7H11NO4/c1-2-3(4(2)6(9)10)5(8)7(11)12/h2-5H,8H2,1H3,(H,9,10)(H,11,12)/t2-,3+,4+,5+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>10	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Agonist activity at mGlu2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced increase of cAMP level				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50138781 ((1S,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-methyl-c...) Show SMILES C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O Show InChI InChI=1S/C7H11NO4/c1-2-3(4(2)6(9)10)5(8)7(11)12/h2-5H,8H2,1H3,(H,9,10)(H,11,12)/t2-,3+,4+,5+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Agonist activity at mGlu1 receptor expressed in CHO cells assessed as myo-[2-3H]Inositol turnover by scintillation counting				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50326794 ((+/-)(1R,2S,3S)-3-[(S)-amino(carboxy)-methyl]-1,10...) Show SMILES N[C@@H]([C@H]1[C@@H](C2CC2)[C@@H]1C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H13NO4/c10-7(9(13)14)5-4(3-1-2-3)6(5)8(11)12/h3-7H,1-2,10H2,(H,11,12)(H,13,14)/t4-,5+,6+,7+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Agonist activity at mGlu1 receptor expressed in CHO cells assessed as myo-[2-3H]Inositol turnover by scintillation counting				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50326793 ((+/-)(1S,2S,3R)-2-[(S)-Amino(carboxy)methyl]-3-cyc...) Show SMILES N[C@@H]([C@H]1[C@H]([C@@H]1C(O)=O)C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C12H19NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h6-10H,1-5,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Agonist activity at mGlu1 receptor expressed in CHO cells assessed as myo-[2-3H]Inositol turnover by scintillation counting				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair