Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50102398'   

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 (Rattus norvegicus (rat))	BDBM50102398 (1-(3-(biphenyl-4-yl)-3-(4-(trifluoromethyl)phenoxy...) Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C33H33F3N2O2/c1-39-32-10-6-5-9-30(32)38-23-21-37(22-24-38)20-19-31(40-29-17-15-28(16-18-29)33(34,35)36)27-13-11-26(12-14-27)25-7-3-2-4-8-25/h2-18,31H,19-24H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand				J Med Chem 44: 418-28 (2001) BindingDB Entry DOI: 10.7270/Q22B8XBC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50102398 (1-(3-(biphenyl-4-yl)-3-(4-(trifluoromethyl)phenoxy...) Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C33H33F3N2O2/c1-39-32-10-6-5-9-30(32)38-23-21-37(22-24-38)20-19-31(40-29-17-15-28(16-18-29)33(34,35)36)27-13-11-26(12-14-27)25-7-3-2-4-8-25/h2-18,31H,19-24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal da Para£ba Curated by ChEMBL					Assay Description Antagonist activity at 5HT1A				Eur J Med Chem 45: 1508-14 (2010) Article DOI: 10.1016/j.ejmech.2009.12.059 BindingDB Entry DOI: 10.7270/Q2HX1DX1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50102398 (1-(3-(biphenyl-4-yl)-3-(4-(trifluoromethyl)phenoxy...) Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C33H33F3N2O2/c1-39-32-10-6-5-9-30(32)38-23-21-37(22-24-38)20-19-31(40-29-17-15-28(16-18-29)33(34,35)36)27-13-11-26(12-14-27)25-7-3-2-4-8-25/h2-18,31H,19-24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Binding affinity to 5HT1A receptor				Eur J Med Chem 43: 364-72 (2008) Article DOI: 10.1016/j.ejmech.2007.03.036 BindingDB Entry DOI: 10.7270/Q2SQ91NB
					More data for this Ligand-Target Pair