Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50387556'   

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))	BDBM50387556 (CHEMBL2057438 | US9359372, DC037077) Show SMILES COc1cc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc2c1CO |r| Show InChI InChI=1S/C21H23NO5/c1-24-18-8-19(25-2)16(10-23)14-6-17-13-7-21-20(26-11-27-21)5-12(13)3-4-22(17)9-15(14)18/h5,7-8,17,23H,3-4,6,9-11H2,1-2H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	600	-36.1	758	n/a	n/a	n/a	n/a	n/a	30
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES US Patent					Assay Description Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...				US Patent US9359372 (2016) BindingDB Entry DOI: 10.7270/Q2736PSP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50387556 (CHEMBL2057438 | US9359372, DC037077) Show SMILES COc1cc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc2c1CO |r| Show InChI InChI=1S/C21H23NO5/c1-24-18-8-19(25-2)16(10-23)14-6-17-13-7-21-20(26-11-27-21)5-12(13)3-4-22(17)9-15(14)18/h5,7-8,17,23H,3-4,6,9-11H2,1-2H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells				Bioorg Med Chem 20: 4862-71 (2012) Article DOI: 10.1016/j.bmc.2012.05.057 BindingDB Entry DOI: 10.7270/Q28P61K9
					More data for this Ligand-Target Pair