null

SMILES: Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccc(cc2)-n2cccc2)CC1

InChI Key: InChIKey=SIOXKMDYIGNNPU-PGWJBFNOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 180717   

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))	BDBM180717 (US8829029, 17) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccc(cc2)-n2cccc2)CC1 |r,wU:19.24,wD:16.17,(-4.69,-7.48,;-5.09,-5.99,;-4,-4.9,;-4.4,-3.41,;-5.89,-3.01,;-6.28,-1.53,;-7.77,-1.13,;-8.46,-3.7,;-6.97,-4.1,;-6.58,-5.59,;-5.19,-.44,;-3.71,-.84,;-2.62,.25,;-3.02,1.74,;-1.93,2.83,;-.44,2.43,;.65,3.52,;2.14,3.12,;3.22,4.21,;2.83,5.7,;1.34,6.1,;.25,5.01,;3.92,6.79,;5.4,6.39,;6.49,7.48,;5.8,4.9,;4.71,3.81,;5.11,2.32,;6.6,1.93,;7.69,3.01,;7.29,4.5,;7,.44,;8.46,-.04,;8.46,-1.58,;7,-2.05,;6.09,-.81,;-4.5,2.14,;-5.59,1.05,)| Show InChI InChI=1S/C31H35FN4O2/c32-25-7-12-28-29(21-25)38-34-30(28)23-14-19-35(20-15-23)18-13-22-3-8-26(9-4-22)33-31(37)24-5-10-27(11-6-24)36-16-1-2-17-36/h1-2,5-7,10-12,16-17,21-23,26H,3-4,8-9,13-15,18-20H2,(H,33,37)/t22-,26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.45	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))	BDBM180717 (US8829029, 17) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccc(cc2)-n2cccc2)CC1 |r,wU:19.24,wD:16.17,(-4.69,-7.48,;-5.09,-5.99,;-4,-4.9,;-4.4,-3.41,;-5.89,-3.01,;-6.28,-1.53,;-7.77,-1.13,;-8.46,-3.7,;-6.97,-4.1,;-6.58,-5.59,;-5.19,-.44,;-3.71,-.84,;-2.62,.25,;-3.02,1.74,;-1.93,2.83,;-.44,2.43,;.65,3.52,;2.14,3.12,;3.22,4.21,;2.83,5.7,;1.34,6.1,;.25,5.01,;3.92,6.79,;5.4,6.39,;6.49,7.48,;5.8,4.9,;4.71,3.81,;5.11,2.32,;6.6,1.93,;7.69,3.01,;7.29,4.5,;7,.44,;8.46,-.04,;8.46,-1.58,;7,-2.05,;6.09,-.81,;-4.5,2.14,;-5.59,1.05,)| Show InChI InChI=1S/C31H35FN4O2/c32-25-7-12-28-29(21-25)38-34-30(28)23-14-19-35(20-15-23)18-13-22-3-8-26(9-4-22)33-31(37)24-5-10-27(11-6-24)36-16-1-2-17-36/h1-2,5-7,10-12,16-17,21-23,26H,3-4,8-9,13-15,18-20H2,(H,33,37)/t22-,26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.61	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