BDBM121457 US8722683, 4

SMILES: O=C(C[C@H]1COCCO1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1

InChI Key: InChIKey=FFHHYAWKMDTAAH-ACRUOGEOSA-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 = 121457   

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))	BDBM121457 (US8722683, 4) Show SMILES O=C(C[C@H]1COCCO1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,3.2,wD:13.14,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;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,)| Show InChI InChI=1S/C25H37N3O5/c29-24(16-21-17-30-14-15-31-21)26-20-6-4-19(5-7-20)8-9-27-10-12-28(13-11-27)22-2-1-3-23-25(22)33-18-32-23/h1-3,19-21H,4-18H2,(H,26,29)/t19-,20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.85	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))	BDBM121457 (US8722683, 4) Show SMILES O=C(C[C@H]1COCCO1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,3.2,wD:13.14,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;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,)| Show InChI InChI=1S/C25H37N3O5/c29-24(16-21-17-30-14-15-31-21)26-20-6-4-19(5-7-20)8-9-27-10-12-28(13-11-27)22-2-1-3-23-25(22)33-18-32-23/h1-3,19-21H,4-18H2,(H,26,29)/t19-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.78	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))	BDBM121457 (US8722683, 4) Show SMILES O=C(C[C@H]1COCCO1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1 |r,wU:10.10,3.2,wD:13.14,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;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,)| Show InChI InChI=1S/C25H37N3O5/c29-24(16-21-17-30-14-15-31-21)26-20-6-4-19(5-7-20)8-9-27-10-12-28(13-11-27)22-2-1-3-23-25(22)33-18-32-23/h1-3,19-21H,4-18H2,(H,26,29)/t19-,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	301	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