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SMILES: Cn1cnc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c12

InChI Key: InChIKey=KQNVCZVAVZAVEK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 458582   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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) 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)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM458582 (US10745401, 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	78	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)
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM458582 (US10745401, 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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	494	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)
					More data for this Ligand-Target Pair