Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM458582'   

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 2A (Homo sapiens (Human))	BDBM458582 (US10745401, Example 56 | US11466007, Example 56) Show SMILES Cn1cnc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c12 Show InChI InChI=1S/C20H24N6OS/c1-23-14-21-16-6-7-26(20(27)18(16)23)13-10-24-8-11-25(12-9-24)19-15-4-2-3-5-17(15)28-22-19/h2-5,14H,6-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.110	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 2A (Homo sapiens (Human))	BDBM458582 (US10745401, Example 56 | US11466007, Example 56) Show SMILES Cn1cnc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c12 Show InChI InChI=1S/C20H24N6OS/c1-23-14-21-16-6-7-26(20(27)18(16)23)13-10-24-8-11-25(12-9-24)19-15-4-2-3-5-17(15)28-22-19/h2-5,14H,6-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.110	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