Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM458557'   

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))	BDBM458557 (US10745401, Example 31 | US11466007, Example 31) Show SMILES Cn1ncc2c1CCCC(CCN1CCN(CC1)c1nsc3ccccc13)C2=O Show InChI InChI=1S/C22H27N5OS/c1-25-19-7-4-5-16(21(28)18(19)15-23-25)9-10-26-11-13-27(14-12-26)22-17-6-2-3-8-20(17)29-24-22/h2-3,6,8,15-16H,4-5,7,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Present compound for human 5-HT1A receptor, human 5-HT2A receptor, and human D2 receptor was measured by the following procedures. CHO cell membrane ...				Citation and Details BindingDB Entry DOI: 10.7270/Q22V2KB4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM458557 (US10745401, Example 31 | US11466007, Example 31) Show SMILES Cn1ncc2c1CCCC(CCN1CCN(CC1)c1nsc3ccccc13)C2=O Show InChI InChI=1S/C22H27N5OS/c1-25-19-7-4-5-16(21(28)18(19)15-23-25)9-10-26-11-13-27(14-12-26)22-17-6-2-3-8-20(17)29-24-22/h2-3,6,8,15-16H,4-5,7,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description Binding affinity of the present compound for human 5-HT1A receptor, human 5-HT2A receptor, and human D2 receptor was measured by the following proced...				US Patent US10745401 (2020) BindingDB Entry DOI: 10.7270/Q2D221P5
					More data for this Ligand-Target Pair