Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'debus' and Initial = 'f'   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50113332 (3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mainz Curated by ChEMBL					Assay Description Binding affinity to 5HT2A receptor				Bioorg Med Chem Lett 18: 1515-9 (2008) Article DOI: 10.1016/j.bmcl.2007.12.054 BindingDB Entry DOI: 10.7270/Q23F4QHZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50095027 ((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...) Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mainz Curated by ChEMBL					Assay Description Binding affinity to 5HT2A receptor				Bioorg Med Chem Lett 18: 1515-9 (2008) Article DOI: 10.1016/j.bmcl.2007.12.054 BindingDB Entry DOI: 10.7270/Q23F4QHZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50113332 (3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mainz Curated by ChEMBL					Assay Description Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells				Bioorg Med Chem Lett 18: 1515-9 (2008) Article DOI: 10.1016/j.bmcl.2007.12.054 BindingDB Entry DOI: 10.7270/Q23F4QHZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50095027 ((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...) Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mainz Curated by ChEMBL					Assay Description Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells				Bioorg Med Chem Lett 18: 1515-9 (2008) Article DOI: 10.1016/j.bmcl.2007.12.054 BindingDB Entry DOI: 10.7270/Q23F4QHZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50232152 ((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...) Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mainz Curated by ChEMBL					Assay Description Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells				Bioorg Med Chem Lett 18: 1515-9 (2008) Article DOI: 10.1016/j.bmcl.2007.12.054 BindingDB Entry DOI: 10.7270/Q23F4QHZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (RAT)	BDBM50273002 (5-Aminomethyl-3H-[1,3,4]oxadiazol-2-one Hydrochlor...) Show SMILES NCc1n[nH]c(=O)o1 Show InChI InChI=1S/C3H5N3O2/c4-1-2-5-6-3(7)8-2/h1,4H2,(H,6,7)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Displacement of [3H]Muscimol from GABAAalpha6 receptor in Sprague-Dawley rat brain cerebellum membrane				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (RAT)	BDBM50273003 (CHEMBL456781 | [5-(2-Amino-ethyl)-3H-[1,3,4]oxadia...) Show SMILES NCCc1n[nH]c(=O)o1 Show InChI InChI=1S/C4H7N3O2/c5-2-1-3-6-7-4(8)9-3/h1-2,5H2,(H,7,8)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Displacement of [3H]Muscimol from GABAAalpha6 receptor in Sprague-Dawley rat brain cerebellum membrane				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (RAT)	BDBM50273043 (5-Aminomethyl-3H-[1,3,4]oxadiazol-2-thione Hydroch...) Show SMILES NCc1nnc(S)o1 Show InChI InChI=1S/C3H5N3OS/c4-1-2-5-6-3(8)7-2/h1,4H2,(H,6,8)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Displacement of [3H]Muscimol from GABAAalpha6 receptor in Sprague-Dawley rat brain cerebellum membrane				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50273004 (5-Piperidin-4-yl-3H-[1,3,4]oxadiazol-2-thione Hydr...) Show SMILES Sc1nnc(o1)C1CCNCC1 Show InChI InChI=1S/C7H11N3OS/c12-7-10-9-6(11-7)5-1-3-8-4-2-5/h5,8H,1-4H2,(H,10,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Agonist activity at rat wild type GABAAalpha1beta2 receptor expressed in Xenopus laevis oocytes as inhibition of GABA-induced current at -60 mV by Tw...				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (RAT)	BDBM50273004 (5-Piperidin-4-yl-3H-[1,3,4]oxadiazol-2-thione Hydr...) Show SMILES Sc1nnc(o1)C1CCNCC1 Show InChI InChI=1S/C7H11N3OS/c12-7-10-9-6(11-7)5-1-3-8-4-2-5/h5,8H,1-4H2,(H,10,12)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Displacement of [3H]Muscimol from GABAAalpha6 receptor in Sprague-Dawley rat brain cerebellum membrane				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (RAT)	BDBM50273110 (4-(5-Methyl-[1,3,4]oxadiazol-2-yl)-piperidine Hydr...) Show SMILES Cc1nnc(o1)C1CCNCC1 Show InChI InChI=1S/C8H13N3O/c1-6-10-11-8(12-6)7-2-4-9-5-3-7/h7,9H,2-5H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Displacement of [3H]Muscimol from GABAAalpha6 receptor in Sprague-Dawley rat brain cerebellum membrane				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (RAT)	BDBM50273001 (5-Piperidin-4-yl-3H-[1,3,4]oxadiazol-2-one Hydroch...) Show SMILES O=c1[nH]nc(o1)C1CCNCC1 Show InChI InChI=1S/C7H11N3O2/c11-7-10-9-6(12-7)5-1-3-8-4-2-5/h5,8H,1-4H2,(H,10,11)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Displacement of [3H]Muscimol from GABAAalpha6 receptor in Sprague-Dawley rat brain cerebellum membrane				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50273002 (5-Aminomethyl-3H-[1,3,4]oxadiazol-2-one Hydrochlor...) Show SMILES NCc1n[nH]c(=O)o1 Show InChI InChI=1S/C3H5N3O2/c4-1-2-5-6-3(7)8-2/h1,4H2,(H,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.82E+5	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Agonist activity at rat recombinant GABAAalpha2beta3gamma2 receptor expressed in HEK293 cells assessed as normalization of GABA-induced current by wh...				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50273002 (5-Aminomethyl-3H-[1,3,4]oxadiazol-2-one Hydrochlor...) Show SMILES NCc1n[nH]c(=O)o1 Show InChI InChI=1S/C3H5N3O2/c4-1-2-5-6-3(7)8-2/h1,4H2,(H,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Agonist activity at rat recombinant GABAAalpha1beta3gamma2 receptor expressed in HEK293 cells assessed as normalization of GABA-induced current by wh...				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM24183 (4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...) Show SMILES NCCCC(O)=O Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Activity at rat wild type GABAAalpha1beta2 receptor expressed in Xenopus laevis oocytes at -60 mV by Two-Electrode voltage clamp method				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50273004 (5-Piperidin-4-yl-3H-[1,3,4]oxadiazol-2-thione Hydr...) Show SMILES Sc1nnc(o1)C1CCNCC1 Show InChI InChI=1S/C7H11N3OS/c12-7-10-9-6(11-7)5-1-3-8-4-2-5/h5,8H,1-4H2,(H,10,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.50E+6	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Agonist activity at rat wild type GABAAalpha1beta2 receptor expressed in Xenopus laevis oocytes at -60 mV by Two-Electrode voltage clamp method				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (RAT)	BDBM50273002 (5-Aminomethyl-3H-[1,3,4]oxadiazol-2-one Hydrochlor...) Show SMILES NCc1n[nH]c(=O)o1 Show InChI InChI=1S/C3H5N3O2/c4-1-2-5-6-3(7)8-2/h1,4H2,(H,6,7)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Agonist activity at rat recombinant GABAAalpha6beta3gamma2 receptor expressed in HEK293 cells assessed as normalization of GABA-induced current by wh...				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50273002 (5-Aminomethyl-3H-[1,3,4]oxadiazol-2-one Hydrochlor...) Show SMILES NCc1n[nH]c(=O)o1 Show InChI InChI=1S/C3H5N3O2/c4-1-2-5-6-3(7)8-2/h1,4H2,(H,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.28E+5	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Agonist activity at rat recombinant GABAAalpha4beta3gamma2 receptor expressed in HEK293 cells assessed as normalization of GABA-induced current by wh...				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (RAT)	BDBM50273002 (5-Aminomethyl-3H-[1,3,4]oxadiazol-2-one Hydrochlor...) Show SMILES NCc1n[nH]c(=O)o1 Show InChI InChI=1S/C3H5N3O2/c4-1-2-5-6-3(7)8-2/h1,4H2,(H,6,7)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.37E+5	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Agonist activity at rat recombinant GABAAalpha5beta3gamma2 receptor expressed in HEK293 cells assessed as normalization of GABA-induced current by wh...				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (RAT)	BDBM50273002 (5-Aminomethyl-3H-[1,3,4]oxadiazol-2-one Hydrochlor...) Show SMILES NCc1n[nH]c(=O)o1 Show InChI InChI=1S/C3H5N3O2/c4-1-2-5-6-3(7)8-2/h1,4H2,(H,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.30E+6	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Agonist activity at rat recombinant GABAAalpha3beta3gamma2 receptor expressed in HEK293 cells assessed as normalization of GABA-induced current by wh...				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair