BDBM106516 US8586579, 105

SMILES: Cc1cnc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)C3CCOCC3)CC2)c2ccoc12

InChI Key: InChIKey=XZKJWFNUAUOHAC-AQYVVDRMSA-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 = 106516   

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))	BDBM106516 (US8586579, 105) Show SMILES Cc1cnc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)C3CCOCC3)CC2)c2ccoc12 |r,wU:14.17,wD:11.10,(-11.55,.52,;-10.01,.52,;-9.24,1.85,;-7.7,1.85,;-6.93,.52,;-5.39,.52,;-4.62,-.82,;-3.08,-.82,;-2.31,.52,;-.77,.52,;,1.85,;1.54,1.85,;2.31,.52,;3.85,.52,;4.62,1.85,;3.85,3.19,;2.31,3.19,;6.16,1.85,;6.93,.52,;6.16,-.82,;8.47,.52,;9.24,-.82,;10.78,-.82,;11.55,.52,;10.78,1.85,;9.24,1.85,;-3.08,1.85,;-4.62,1.85,;-7.7,-.82,;-7.22,-2.28,;-8.47,-3.19,;-9.72,-2.28,;-9.24,-.82,)| Show InChI InChI=1S/C26H38N4O3/c1-19-18-27-25(23-9-17-33-24(19)23)30-13-11-29(12-14-30)10-6-20-2-4-22(5-3-20)28-26(31)21-7-15-32-16-8-21/h9,17-18,20-22H,2-8,10-16H2,1H3,(H,28,31)/t20-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.67	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))	BDBM106516 (US8586579, 105) Show SMILES Cc1cnc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)C3CCOCC3)CC2)c2ccoc12 |r,wU:14.17,wD:11.10,(-11.55,.52,;-10.01,.52,;-9.24,1.85,;-7.7,1.85,;-6.93,.52,;-5.39,.52,;-4.62,-.82,;-3.08,-.82,;-2.31,.52,;-.77,.52,;,1.85,;1.54,1.85,;2.31,.52,;3.85,.52,;4.62,1.85,;3.85,3.19,;2.31,3.19,;6.16,1.85,;6.93,.52,;6.16,-.82,;8.47,.52,;9.24,-.82,;10.78,-.82,;11.55,.52,;10.78,1.85,;9.24,1.85,;-3.08,1.85,;-4.62,1.85,;-7.7,-.82,;-7.22,-2.28,;-8.47,-3.19,;-9.72,-2.28,;-9.24,-.82,)| Show InChI InChI=1S/C26H38N4O3/c1-19-18-27-25(23-9-17-33-24(19)23)30-13-11-29(12-14-30)10-6-20-2-4-22(5-3-20)28-26(31)21-7-15-32-16-8-21/h9,17-18,20-22H,2-8,10-16H2,1H3,(H,28,31)/t20-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	72.7	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))	BDBM106516 (US8586579, 105) Show SMILES Cc1cnc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)C3CCOCC3)CC2)c2ccoc12 |r,wU:14.17,wD:11.10,(-11.55,.52,;-10.01,.52,;-9.24,1.85,;-7.7,1.85,;-6.93,.52,;-5.39,.52,;-4.62,-.82,;-3.08,-.82,;-2.31,.52,;-.77,.52,;,1.85,;1.54,1.85,;2.31,.52,;3.85,.52,;4.62,1.85,;3.85,3.19,;2.31,3.19,;6.16,1.85,;6.93,.52,;6.16,-.82,;8.47,.52,;9.24,-.82,;10.78,-.82,;11.55,.52,;10.78,1.85,;9.24,1.85,;-3.08,1.85,;-4.62,1.85,;-7.7,-.82,;-7.22,-2.28,;-8.47,-3.19,;-9.72,-2.28,;-9.24,-.82,)| Show InChI InChI=1S/C26H38N4O3/c1-19-18-27-25(23-9-17-33-24(19)23)30-13-11-29(12-14-30)10-6-20-2-4-22(5-3-20)28-26(31)21-7-15-32-16-8-21/h9,17-18,20-22H,2-8,10-16H2,1H3,(H,28,31)/t20-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.13E+3	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