Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50454759'   

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))	BDBM50454759 (Flesinoxan) Show SMILES [H][C@]1(CO)COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes				Bioorg Med Chem Lett 8: 2457-62 (1999) BindingDB Entry DOI: 10.7270/Q2KS6SQ1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50454759 (Flesinoxan) Show SMILES [H][C@]1(CO)COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...				J Med Chem 40: 300-12 (1997) Article DOI: 10.1021/jm960496o BindingDB Entry DOI: 10.7270/Q27W6B96
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50454759 (Flesinoxan) Show SMILES [H][C@]1(CO)COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.60	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Compound was tested for its potency against human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 8: 2457-62 (1999) BindingDB Entry DOI: 10.7270/Q2KS6SQ1
					More data for this Ligand-Target Pair