BDBM121466 US8722683, 13

SMILES: Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3cccc4OCOc34)CC2)on1

InChI Key: InChIKey=CMSXGONDQZVASO-MXVIHJGJSA-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 = 121466   

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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM121466 (US8722683, 13) Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3cccc4OCOc34)CC2)on1 |r,wU:8.7,wD:11.11,(11.3,3.57,;9.97,2.8,;9.49,1.33,;7.95,1.33,;7.18,,;5.64,,;4.87,-1.33,;4.87,1.33,;3.33,1.33,;2.56,,;1.02,,;.25,1.33,;-1.29,1.33,;-2.06,,;-3.6,,;-4.37,-1.33,;-5.91,-1.33,;-6.68,,;-5.91,1.33,;-4.37,1.33,;-8.22,,;-8.99,1.33,;-10.53,1.33,;-11.3,,;-10.53,-1.33,;-11.01,-2.8,;-9.76,-3.7,;-8.51,-2.8,;-8.99,-1.33,;1.02,2.67,;2.56,2.67,;7.47,2.8,;8.72,3.7,)| Show InChI InChI=1S/C25H34N4O4/c1-18-15-21(33-27-18)16-24(30)26-20-7-5-19(6-8-20)9-10-28-11-13-29(14-12-28)22-3-2-4-23-25(22)32-17-31-23/h2-4,15,19-20H,5-14,16-17H2,1H3,(H,26,30)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann LA-Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl...				US Patent US8722683 (2014) BindingDB Entry DOI: 10.7270/Q2J101VJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM121466 (US8722683, 13) Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3cccc4OCOc34)CC2)on1 |r,wU:8.7,wD:11.11,(11.3,3.57,;9.97,2.8,;9.49,1.33,;7.95,1.33,;7.18,,;5.64,,;4.87,-1.33,;4.87,1.33,;3.33,1.33,;2.56,,;1.02,,;.25,1.33,;-1.29,1.33,;-2.06,,;-3.6,,;-4.37,-1.33,;-5.91,-1.33,;-6.68,,;-5.91,1.33,;-4.37,1.33,;-8.22,,;-8.99,1.33,;-10.53,1.33,;-11.3,,;-10.53,-1.33,;-11.01,-2.8,;-9.76,-3.7,;-8.51,-2.8,;-8.99,-1.33,;1.02,2.67,;2.56,2.67,;7.47,2.8,;8.72,3.7,)| Show InChI InChI=1S/C25H34N4O4/c1-18-15-21(33-27-18)16-24(30)26-20-7-5-19(6-8-20)9-10-28-11-13-29(14-12-28)22-3-2-4-23-25(22)32-17-31-23/h2-4,15,19-20H,5-14,16-17H2,1H3,(H,26,30)/t19-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann LA-Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl...				US Patent US8722683 (2014) BindingDB Entry DOI: 10.7270/Q2J101VJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM121466 (US8722683, 13) Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3cccc4OCOc34)CC2)on1 |r,wU:8.7,wD:11.11,(11.3,3.57,;9.97,2.8,;9.49,1.33,;7.95,1.33,;7.18,,;5.64,,;4.87,-1.33,;4.87,1.33,;3.33,1.33,;2.56,,;1.02,,;.25,1.33,;-1.29,1.33,;-2.06,,;-3.6,,;-4.37,-1.33,;-5.91,-1.33,;-6.68,,;-5.91,1.33,;-4.37,1.33,;-8.22,,;-8.99,1.33,;-10.53,1.33,;-11.3,,;-10.53,-1.33,;-11.01,-2.8,;-9.76,-3.7,;-8.51,-2.8,;-8.99,-1.33,;1.02,2.67,;2.56,2.67,;7.47,2.8,;8.72,3.7,)| Show InChI InChI=1S/C25H34N4O4/c1-18-15-21(33-27-18)16-24(30)26-20-7-5-19(6-8-20)9-10-28-11-13-29(14-12-28)22-3-2-4-23-25(22)32-17-31-23/h2-4,15,19-20H,5-14,16-17H2,1H3,(H,26,30)/t19-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	314	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann LA-Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl...				US Patent US8722683 (2014) BindingDB Entry DOI: 10.7270/Q2J101VJ
					More data for this Ligand-Target Pair