Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50031694   

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 1A (Homo sapiens (Human))	BDBM50317420 (1-Dehydro-10-gingerdione | CHEMBL1094100) Show SMILES CCCCCCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1 |w:15.15| Show InChI InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h11-15,24H,3-10,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry and Applied Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting				Bioorg Med Chem 18: 3345-51 (2010) Article DOI: 10.1016/j.bmc.2010.02.062 BindingDB Entry DOI: 10.7270/Q2RN381W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50317425 (10-Gingerol | CHEMBL549472) Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	3.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry and Applied Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting				Bioorg Med Chem 18: 3345-51 (2010) Article DOI: 10.1016/j.bmc.2010.02.062 BindingDB Entry DOI: 10.7270/Q2RN381W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50317423 ((E)-1-(4-Hydroxy-3-methoxy-phenyl)-tetradec-4-en-3...) Show SMILES CCCCCCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:10.10| Show InChI InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h11-12,14,16-17,23H,3-10,13,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry and Applied Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting				Bioorg Med Chem 18: 3345-51 (2010) Article DOI: 10.1016/j.bmc.2010.02.062 BindingDB Entry DOI: 10.7270/Q2RN381W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50317422 (1-Dehydro-6-gingerdione | CHEMBL1096043) Show SMILES CCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1 |w:11.11| Show InChI InChI=1S/C17H22O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h7-11,20H,3-6,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry and Applied Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting				Bioorg Med Chem 18: 3345-51 (2010) Article DOI: 10.1016/j.bmc.2010.02.062 BindingDB Entry DOI: 10.7270/Q2RN381W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50317421 (1-Dehydro-8-gingerdione | CHEMBL1096044) Show SMILES CCCCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1 |w:13.13| Show InChI InChI=1S/C19H26O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h9-13,22H,3-8,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry and Applied Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting				Bioorg Med Chem 18: 3345-51 (2010) Article DOI: 10.1016/j.bmc.2010.02.062 BindingDB Entry DOI: 10.7270/Q2RN381W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50317419 (6-Dihydroparadol | CHEMBL1094101) Show SMILES CCCCCCCC(O)CCc1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H28O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,15,18-19H,3-9,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry and Applied Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting				Bioorg Med Chem 18: 3345-51 (2010) Article DOI: 10.1016/j.bmc.2010.02.062 BindingDB Entry DOI: 10.7270/Q2RN381W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50317426 (8-Gingerol | CHEMBL1095671) Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry and Applied Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting				Bioorg Med Chem 18: 3345-51 (2010) Article DOI: 10.1016/j.bmc.2010.02.062 BindingDB Entry DOI: 10.7270/Q2RN381W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50317424 ((E)-1-(4-Hydroxy-3-methoxy-phenyl)-dodec-4-en-3-on...) Show SMILES CCCCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:8.8| Show InChI InChI=1S/C19H28O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h9-10,12,14-15,21H,3-8,11,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry and Applied Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting				Bioorg Med Chem 18: 3345-51 (2010) Article DOI: 10.1016/j.bmc.2010.02.062 BindingDB Entry DOI: 10.7270/Q2RN381W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50240419 ((E)-1-(4-Hydroxy-3-methoxy-phenyl)-dec-4-en-3-one ...) Show SMILES CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4| Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry and Applied Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting				Bioorg Med Chem 18: 3345-51 (2010) Article DOI: 10.1016/j.bmc.2010.02.062 BindingDB Entry DOI: 10.7270/Q2RN381W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50275147 (6-Gingerol | BDBM50317427 | CHEMBL446043 | Gingero...) Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry and Applied Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting				Bioorg Med Chem 18: 3345-51 (2010) Article DOI: 10.1016/j.bmc.2010.02.062 BindingDB Entry DOI: 10.7270/Q2RN381W
					More data for this Ligand-Target Pair