BDBM106529 US8586579, 118

SMILES: CN1CCN(CC1)c1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1

InChI Key: InChIKey=FNDLZQGZKLRGIU-YOCNBXQISA-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 = 106529   

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))	BDBM106529 (US8586579, 118) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:16.17,wD:19.21,(13.77,.52,;12.23,.52,;11.46,-.82,;9.92,-.82,;9.15,.52,;9.92,1.85,;11.46,1.85,;7.8,.52,;7.03,-.82,;5.49,-.82,;4.72,.52,;5.49,1.85,;7.03,1.85,;3.18,.52,;2.41,-.82,;2.41,1.85,;.87,1.85,;.1,.52,;-1.44,.52,;-2.21,1.85,;-3.75,1.85,;-4.52,.52,;-6.06,.52,;-6.83,-.82,;-8.37,-.82,;-9.15,.52,;-8.37,1.85,;-6.83,1.85,;-10.69,.52,;-11.46,1.85,;-13,1.85,;-13.77,.52,;-13,-.82,;-13.48,-2.28,;-12.23,-3.19,;-10.99,-2.28,;-11.46,-.82,;-1.44,3.19,;.1,3.19,)| Show InChI InChI=1S/C31H44N6O2/c1-34-15-19-36(20-16-34)27-8-4-25(5-9-27)31(38)33-26-6-2-24(3-7-26)11-14-35-17-21-37(22-18-35)30-28-12-23-39-29(28)10-13-32-30/h4-5,8-10,13,24,26H,2-3,6-7,11-12,14-23H2,1H3,(H,33,38)/t24-,26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr...				US Patent US8586579 (2013) BindingDB Entry DOI: 10.7270/Q2QV3K55
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM106529 (US8586579, 118) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:16.17,wD:19.21,(13.77,.52,;12.23,.52,;11.46,-.82,;9.92,-.82,;9.15,.52,;9.92,1.85,;11.46,1.85,;7.8,.52,;7.03,-.82,;5.49,-.82,;4.72,.52,;5.49,1.85,;7.03,1.85,;3.18,.52,;2.41,-.82,;2.41,1.85,;.87,1.85,;.1,.52,;-1.44,.52,;-2.21,1.85,;-3.75,1.85,;-4.52,.52,;-6.06,.52,;-6.83,-.82,;-8.37,-.82,;-9.15,.52,;-8.37,1.85,;-6.83,1.85,;-10.69,.52,;-11.46,1.85,;-13,1.85,;-13.77,.52,;-13,-.82,;-13.48,-2.28,;-12.23,-3.19,;-10.99,-2.28,;-11.46,-.82,;-1.44,3.19,;.1,3.19,)| Show InChI InChI=1S/C31H44N6O2/c1-34-15-19-36(20-16-34)27-8-4-25(5-9-27)31(38)33-26-6-2-24(3-7-26)11-14-35-17-21-37(22-18-35)30-28-12-23-39-29(28)10-13-32-30/h4-5,8-10,13,24,26H,2-3,6-7,11-12,14-23H2,1H3,(H,33,38)/t24-,26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr...				US Patent US8586579 (2013) BindingDB Entry DOI: 10.7270/Q2QV3K55
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM106529 (US8586579, 118) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:16.17,wD:19.21,(13.77,.52,;12.23,.52,;11.46,-.82,;9.92,-.82,;9.15,.52,;9.92,1.85,;11.46,1.85,;7.8,.52,;7.03,-.82,;5.49,-.82,;4.72,.52,;5.49,1.85,;7.03,1.85,;3.18,.52,;2.41,-.82,;2.41,1.85,;.87,1.85,;.1,.52,;-1.44,.52,;-2.21,1.85,;-3.75,1.85,;-4.52,.52,;-6.06,.52,;-6.83,-.82,;-8.37,-.82,;-9.15,.52,;-8.37,1.85,;-6.83,1.85,;-10.69,.52,;-11.46,1.85,;-13,1.85,;-13.77,.52,;-13,-.82,;-13.48,-2.28,;-12.23,-3.19,;-10.99,-2.28,;-11.46,-.82,;-1.44,3.19,;.1,3.19,)| Show InChI InChI=1S/C31H44N6O2/c1-34-15-19-36(20-16-34)27-8-4-25(5-9-27)31(38)33-26-6-2-24(3-7-26)11-14-35-17-21-37(22-18-35)30-28-12-23-39-29(28)10-13-32-30/h4-5,8-10,13,24,26H,2-3,6-7,11-12,14-23H2,1H3,(H,33,38)/t24-,26-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr...				US Patent US8586579 (2013) BindingDB Entry DOI: 10.7270/Q2QV3K55
					More data for this Ligand-Target Pair