BDBM106473 US8586579, 62

SMILES: O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccnc2ccccc12

InChI Key: InChIKey=MVNMMDGTQIXAJK-HZCBDIJESA-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 = 106473   

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))	BDBM106473 (US8586579, 62) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccnc2ccccc12 |r,wU:3.2,wD:6.6,(5.39,-.67,;6.16,.67,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,;7.7,.67,;8.47,2,;10.01,2,;10.78,.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;8.47,-.67,)| Show InChI InChI=1S/C29H35N5O2/c35-29(24-9-13-30-26-4-2-1-3-23(24)26)32-22-7-5-21(6-8-22)11-15-33-16-18-34(19-17-33)28-25-12-20-36-27(25)10-14-31-28/h1-4,9-10,13-14,21-22H,5-8,11-12,15-20H2,(H,32,35)/t21-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.62	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))	BDBM106473 (US8586579, 62) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccnc2ccccc12 |r,wU:3.2,wD:6.6,(5.39,-.67,;6.16,.67,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,;7.7,.67,;8.47,2,;10.01,2,;10.78,.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;8.47,-.67,)| Show InChI InChI=1S/C29H35N5O2/c35-29(24-9-13-30-26-4-2-1-3-23(24)26)32-22-7-5-21(6-8-22)11-15-33-16-18-34(19-17-33)28-25-12-20-36-27(25)10-14-31-28/h1-4,9-10,13-14,21-22H,5-8,11-12,15-20H2,(H,32,35)/t21-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10.7	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))	BDBM106473 (US8586579, 62) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccnc2ccccc12 |r,wU:3.2,wD:6.6,(5.39,-.67,;6.16,.67,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,;7.7,.67,;8.47,2,;10.01,2,;10.78,.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;8.47,-.67,)| Show InChI InChI=1S/C29H35N5O2/c35-29(24-9-13-30-26-4-2-1-3-23(24)26)32-22-7-5-21(6-8-22)11-15-33-16-18-34(19-17-33)28-25-12-20-36-27(25)10-14-31-28/h1-4,9-10,13-14,21-22H,5-8,11-12,15-20H2,(H,32,35)/t21-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	548	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