null

SMILES: CC(C)(C)Oc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1

InChI Key: InChIKey=YGFINQFSLIMLPP-OKDASEJXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 180709   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM180709 (US8829029, 9) Show SMILES CC(C)(C)Oc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:14.14,wD:17.18,(5.64,-1.05,;7.18,-1.05,;6.1,-2.14,;8.67,-1.45,;6.79,.44,;6.39,1.93,;4.9,2.32,;4.5,3.81,;5.59,4.9,;7.08,4.5,;7.48,3.01,;5.19,6.39,;6.28,7.48,;3.7,6.79,;2.62,5.7,;3.01,4.21,;1.93,3.12,;.44,3.52,;-.65,2.43,;-2.14,2.83,;-3.23,1.74,;-2.83,.25,;-3.92,-.84,;-5.41,-.44,;-5.8,1.05,;-4.72,2.14,;-6.49,-1.53,;-7.98,-1.13,;-8.67,-3.7,;-7.18,-4.1,;-6.79,-5.59,;-5.3,-5.99,;-4.9,-7.48,;-4.21,-4.9,;-4.61,-3.41,;-6.1,-3.01,;.04,5.01,;1.13,6.1,)| Show InChI InChI=1S/C31H40FN3O3/c1-31(2,3)37-26-11-6-23(7-12-26)30(36)33-25-9-4-21(5-10-25)14-17-35-18-15-22(16-19-35)29-27-13-8-24(32)20-28(27)38-34-29/h6-8,11-13,20-22,25H,4-5,9-10,14-19H2,1-3H3,(H,33,36)/t21-,25-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.72	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, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC...				US Patent US8829029 (2014) BindingDB Entry DOI: 10.7270/Q22B8WSS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM180709 (US8829029, 9) Show SMILES CC(C)(C)Oc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:14.14,wD:17.18,(5.64,-1.05,;7.18,-1.05,;6.1,-2.14,;8.67,-1.45,;6.79,.44,;6.39,1.93,;4.9,2.32,;4.5,3.81,;5.59,4.9,;7.08,4.5,;7.48,3.01,;5.19,6.39,;6.28,7.48,;3.7,6.79,;2.62,5.7,;3.01,4.21,;1.93,3.12,;.44,3.52,;-.65,2.43,;-2.14,2.83,;-3.23,1.74,;-2.83,.25,;-3.92,-.84,;-5.41,-.44,;-5.8,1.05,;-4.72,2.14,;-6.49,-1.53,;-7.98,-1.13,;-8.67,-3.7,;-7.18,-4.1,;-6.79,-5.59,;-5.3,-5.99,;-4.9,-7.48,;-4.21,-4.9,;-4.61,-3.41,;-6.1,-3.01,;.04,5.01,;1.13,6.1,)| Show InChI InChI=1S/C31H40FN3O3/c1-31(2,3)37-26-11-6-23(7-12-26)30(36)33-25-9-4-21(5-10-25)14-17-35-18-15-22(16-19-35)29-27-13-8-24(32)20-28(27)38-34-29/h6-8,11-13,20-22,25H,4-5,9-10,14-19H2,1-3H3,(H,33,36)/t21-,25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.42	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, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC...				US Patent US8829029 (2014) BindingDB Entry DOI: 10.7270/Q22B8WSS
					More data for this Ligand-Target Pair