BDBM458588 US10745401, Example 62

SMILES: Brc1cc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2cn1

InChI Key: InChIKey=IKMGSOGDZPNUTQ-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 = 458588   

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))	BDBM458588 (US10745401, Example 62) Show SMILES Brc1cc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2cn1 Show InChI InChI=1S/C21H22BrN5OS/c22-19-13-15-5-6-27(21(28)17(15)14-23-19)12-9-25-7-10-26(11-8-25)20-16-3-1-2-4-18(16)29-24-20/h1-4,13-14H,5-12H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	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))	BDBM458588 (US10745401, Example 62) Show SMILES Brc1cc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2cn1 Show InChI InChI=1S/C21H22BrN5OS/c22-19-13-15-5-6-27(21(28)17(15)14-23-19)12-9-25-7-10-26(11-8-25)20-16-3-1-2-4-18(16)29-24-20/h1-4,13-14H,5-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.920	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))	BDBM458588 (US10745401, Example 62) Show SMILES Brc1cc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2cn1 Show InChI InChI=1S/C21H22BrN5OS/c22-19-13-15-5-6-27(21(28)17(15)14-23-19)12-9-25-7-10-26(11-8-25)20-16-3-1-2-4-18(16)29-24-20/h1-4,13-14H,5-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	222	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