BDBM121460 US8722683, 7

SMILES: CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1

InChI Key: InChIKey=GZGMMCKOZRMGDA-IYARVYRRSA-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 = 121460   

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))	BDBM121460 (US8722683, 7) Show SMILES CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1 |r,wU:5.4,wD:8.8,(9.63,1.85,;8.85,.52,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.63,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)| Show InChI InChI=1S/C22H33N3O3/c1-2-21(26)23-18-8-6-17(7-9-18)10-11-24-12-14-25(15-13-24)19-4-3-5-20-22(19)28-16-27-20/h3-5,17-18H,2,6-16H2,1H3,(H,23,26)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.28	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))	BDBM121460 (US8722683, 7) Show SMILES CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1 |r,wU:5.4,wD:8.8,(9.63,1.85,;8.85,.52,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.63,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)| Show InChI InChI=1S/C22H33N3O3/c1-2-21(26)23-18-8-6-17(7-9-18)10-11-24-12-14-25(15-13-24)19-4-3-5-20-22(19)28-16-27-20/h3-5,17-18H,2,6-16H2,1H3,(H,23,26)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	13.6	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM121460 (US8722683, 7) Show SMILES CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1 |r,wU:5.4,wD:8.8,(9.63,1.85,;8.85,.52,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.63,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)| Show InChI InChI=1S/C22H33N3O3/c1-2-21(26)23-18-8-6-17(7-9-18)10-11-24-12-14-25(15-13-24)19-4-3-5-20-22(19)28-16-27-20/h3-5,17-18H,2,6-16H2,1H3,(H,23,26)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	74.5	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