BDBM458613 US10745401, Example 87

SMILES: Cc1nccc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c12

InChI Key: InChIKey=FFZUWXZVFRDGLT-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 = 458613   

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))	BDBM458613 (US10745401, Example 87) Show SMILES Cc1nccc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c12 Show InChI InChI=1S/C23H26N4O2/c1-16-21-17(6-10-24-16)9-13-27(23(21)28)15-14-26-11-7-18(8-12-26)22-19-4-2-3-5-20(19)29-25-22/h2-6,10,18H,7-9,11-15H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.120	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))	BDBM458613 (US10745401, Example 87) Show SMILES Cc1nccc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c12 Show InChI InChI=1S/C23H26N4O2/c1-16-21-17(6-10-24-16)9-13-27(23(21)28)15-14-26-11-7-18(8-12-26)22-19-4-2-3-5-20(19)29-25-22/h2-6,10,18H,7-9,11-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	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))	BDBM458613 (US10745401, Example 87) Show SMILES Cc1nccc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c12 Show InChI InChI=1S/C23H26N4O2/c1-16-21-17(6-10-24-16)9-13-27(23(21)28)15-14-26-11-7-18(8-12-26)22-19-4-2-3-5-20(19)29-25-22/h2-6,10,18H,7-9,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	94	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