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SMILES: CC1CN(CCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccn(C)c12

InChI Key: InChIKey=XAKYPHLOTZWMEF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 458605   

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 1A (Homo sapiens (Human))	BDBM458605 (US10745401, Example 79 | US11466007, Example 79) Show SMILES CC1CN(CCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccn(C)c12 Show InChI InChI=1S/C22H27N5OS/c1-16-15-27(22(28)18-7-8-24(2)20(16)18)14-11-25-9-12-26(13-10-25)21-17-5-3-4-6-19(17)29-23-21/h3-8,16H,9-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.190	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM458605 (US10745401, Example 79 | US11466007, Example 79) Show SMILES CC1CN(CCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccn(C)c12 Show InChI InChI=1S/C22H27N5OS/c1-16-15-27(22(28)18-7-8-24(2)20(16)18)14-11-25-9-12-26(13-10-25)21-17-5-3-4-6-19(17)29-23-21/h3-8,16H,9-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.190	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))	BDBM458605 (US10745401, Example 79 | US11466007, Example 79) Show SMILES CC1CN(CCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccn(C)c12 Show InChI InChI=1S/C22H27N5OS/c1-16-15-27(22(28)18-7-8-24(2)20(16)18)14-11-25-9-12-26(13-10-25)21-17-5-3-4-6-19(17)29-23-21/h3-8,16H,9-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.810	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))	BDBM458605 (US10745401, Example 79 | US11466007, Example 79) Show SMILES CC1CN(CCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccn(C)c12 Show InChI InChI=1S/C22H27N5OS/c1-16-15-27(22(28)18-7-8-24(2)20(16)18)14-11-25-9-12-26(13-10-25)21-17-5-3-4-6-19(17)29-23-21/h3-8,16H,9-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.810	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM458605 (US10745401, Example 79 | US11466007, Example 79) Show SMILES CC1CN(CCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccn(C)c12 Show InChI InChI=1S/C22H27N5OS/c1-16-15-27(22(28)18-7-8-24(2)20(16)18)14-11-25-9-12-26(13-10-25)21-17-5-3-4-6-19(17)29-23-21/h3-8,16H,9-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	239	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM458605 (US10745401, Example 79 | US11466007, Example 79) Show SMILES CC1CN(CCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccn(C)c12 Show InChI InChI=1S/C22H27N5OS/c1-16-15-27(22(28)18-7-8-24(2)20(16)18)14-11-25-9-12-26(13-10-25)21-17-5-3-4-6-19(17)29-23-21/h3-8,16H,9-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	239	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