BDBM458557 US10745401, Example 31

SMILES: Cn1ncc2c1CCCC(CCN1CCN(CC1)c1nsc3ccccc13)C2=O

InChI Key: InChIKey=UKAZUPHMMINRDF-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 458557   

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))	BDBM458557 (US10745401, 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 UniProtKB/TrEMBL 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)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM458557 (US10745401, 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.470	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))	BDBM458557 (US10745401, 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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	99	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