BDBM121472 US8722683, 19

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

InChI Key: InChIKey=KQLWXCILLOUXJV-WGSAOQKQSA-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 = 121472   

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))	BDBM121472 (US8722683, 19) Show SMILES CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1 |r,wU:6.5,wD:9.9,(10.39,-.82,;8.85,-.82,;8.08,.52,;6.54,.52,;5.77,-.82,;5.77,1.85,;4.23,1.85,;3.46,.52,;1.92,.52,;1.15,1.85,;-.38,1.85,;-1.15,.52,;-2.69,.52,;-3.46,-.82,;-5,-.82,;-5.77,.52,;-5,1.85,;-3.46,1.85,;-7.31,.52,;-8.08,1.85,;-9.62,1.85,;-10.39,.52,;-9.62,-.82,;-10.1,-2.28,;-8.85,-3.19,;-7.61,-2.28,;-8.08,-.82,;1.92,3.19,;3.46,3.19,)| Show InChI InChI=1S/C23H35N3O3/c1-2-4-22(27)24-19-9-7-18(8-10-19)11-12-25-13-15-26(16-14-25)20-5-3-6-21-23(20)29-17-28-21/h3,5-6,18-19H,2,4,7-17H2,1H3,(H,24,27)/t18-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.58	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))	BDBM121472 (US8722683, 19) Show SMILES CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1 |r,wU:6.5,wD:9.9,(10.39,-.82,;8.85,-.82,;8.08,.52,;6.54,.52,;5.77,-.82,;5.77,1.85,;4.23,1.85,;3.46,.52,;1.92,.52,;1.15,1.85,;-.38,1.85,;-1.15,.52,;-2.69,.52,;-3.46,-.82,;-5,-.82,;-5.77,.52,;-5,1.85,;-3.46,1.85,;-7.31,.52,;-8.08,1.85,;-9.62,1.85,;-10.39,.52,;-9.62,-.82,;-10.1,-2.28,;-8.85,-3.19,;-7.61,-2.28,;-8.08,-.82,;1.92,3.19,;3.46,3.19,)| Show InChI InChI=1S/C23H35N3O3/c1-2-4-22(27)24-19-9-7-18(8-10-19)11-12-25-13-15-26(16-14-25)20-5-3-6-21-23(20)29-17-28-21/h3,5-6,18-19H,2,4,7-17H2,1H3,(H,24,27)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	28.5	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))	BDBM121472 (US8722683, 19) Show SMILES CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1 |r,wU:6.5,wD:9.9,(10.39,-.82,;8.85,-.82,;8.08,.52,;6.54,.52,;5.77,-.82,;5.77,1.85,;4.23,1.85,;3.46,.52,;1.92,.52,;1.15,1.85,;-.38,1.85,;-1.15,.52,;-2.69,.52,;-3.46,-.82,;-5,-.82,;-5.77,.52,;-5,1.85,;-3.46,1.85,;-7.31,.52,;-8.08,1.85,;-9.62,1.85,;-10.39,.52,;-9.62,-.82,;-10.1,-2.28,;-8.85,-3.19,;-7.61,-2.28,;-8.08,-.82,;1.92,3.19,;3.46,3.19,)| Show InChI InChI=1S/C23H35N3O3/c1-2-4-22(27)24-19-9-7-18(8-10-19)11-12-25-13-15-26(16-14-25)20-5-3-6-21-23(20)29-17-28-21/h3,5-6,18-19H,2,4,7-17H2,1H3,(H,24,27)/t18-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	144	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