BDBM121481 US8722683, 28

SMILES: OC1(CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3cccc4OCOc34)CC2)CCC1

InChI Key: InChIKey=ALLUIYWATYVDFM-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 = 121481   

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))	BDBM121481 (US8722683, 28) Show SMILES OC1(CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3cccc4OCOc34)CC2)CCC1 |r,wU:6.5,wD:9.9,(7.24,-1.59,;8.57,-.82,;7.8,.52,;6.26,.52,;5.49,-.82,;5.49,1.85,;3.95,1.85,;3.18,.52,;1.64,.52,;.87,1.85,;-.67,1.85,;-1.44,.52,;-2.98,.52,;-3.75,-.82,;-5.29,-.82,;-6.06,.52,;-5.29,1.85,;-3.75,1.85,;-7.6,.52,;-8.37,1.85,;-9.91,1.85,;-10.68,.52,;-9.91,-.82,;-10.38,-2.28,;-9.14,-3.19,;-7.89,-2.28,;-8.37,-.82,;1.64,3.19,;3.18,3.19,;9.34,-2.15,;10.68,-1.38,;9.91,-.05,)| Show InChI InChI=1S/C25H37N3O4/c29-23(17-25(30)10-2-11-25)26-20-7-5-19(6-8-20)9-12-27-13-15-28(16-14-27)21-3-1-4-22-24(21)32-18-31-22/h1,3-4,19-20,30H,2,5-18H2,(H,26,29)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	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))	BDBM121481 (US8722683, 28) Show SMILES OC1(CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3cccc4OCOc34)CC2)CCC1 |r,wU:6.5,wD:9.9,(7.24,-1.59,;8.57,-.82,;7.8,.52,;6.26,.52,;5.49,-.82,;5.49,1.85,;3.95,1.85,;3.18,.52,;1.64,.52,;.87,1.85,;-.67,1.85,;-1.44,.52,;-2.98,.52,;-3.75,-.82,;-5.29,-.82,;-6.06,.52,;-5.29,1.85,;-3.75,1.85,;-7.6,.52,;-8.37,1.85,;-9.91,1.85,;-10.68,.52,;-9.91,-.82,;-10.38,-2.28,;-9.14,-3.19,;-7.89,-2.28,;-8.37,-.82,;1.64,3.19,;3.18,3.19,;9.34,-2.15,;10.68,-1.38,;9.91,-.05,)| Show InChI InChI=1S/C25H37N3O4/c29-23(17-25(30)10-2-11-25)26-20-7-5-19(6-8-20)9-12-27-13-15-28(16-14-27)21-3-1-4-22-24(21)32-18-31-22/h1,3-4,19-20,30H,2,5-18H2,(H,26,29)/t19-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25.5	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))	BDBM121481 (US8722683, 28) Show SMILES OC1(CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3cccc4OCOc34)CC2)CCC1 |r,wU:6.5,wD:9.9,(7.24,-1.59,;8.57,-.82,;7.8,.52,;6.26,.52,;5.49,-.82,;5.49,1.85,;3.95,1.85,;3.18,.52,;1.64,.52,;.87,1.85,;-.67,1.85,;-1.44,.52,;-2.98,.52,;-3.75,-.82,;-5.29,-.82,;-6.06,.52,;-5.29,1.85,;-3.75,1.85,;-7.6,.52,;-8.37,1.85,;-9.91,1.85,;-10.68,.52,;-9.91,-.82,;-10.38,-2.28,;-9.14,-3.19,;-7.89,-2.28,;-8.37,-.82,;1.64,3.19,;3.18,3.19,;9.34,-2.15,;10.68,-1.38,;9.91,-.05,)| Show InChI InChI=1S/C25H37N3O4/c29-23(17-25(30)10-2-11-25)26-20-7-5-19(6-8-20)9-12-27-13-15-28(16-14-27)21-3-1-4-22-24(21)32-18-31-22/h1,3-4,19-20,30H,2,5-18H2,(H,26,29)/t19-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	94.6	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