null

SMILES: Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2cnc(nc2)N2CCOCC2)CC1

InChI Key: InChIKey=XVKCBMHQXDTJBS-LSNLESRRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 180704   

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))	BDBM180704 (US8829029, 4D) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2cnc(nc2)N2CCOCC2)CC1 |r,wU:19.24,wD:16.17,(-8.67,3.46,;-7.34,4.23,;-6,3.46,;-4.67,4.23,;-4.67,5.77,;-3.33,6.54,;-3.33,8.08,;-6,8.08,;-6,6.54,;-7.34,5.77,;-2,5.77,;-2,4.23,;-.67,3.46,;.67,4.23,;2,3.46,;2,1.92,;3.33,1.15,;3.33,-.39,;4.67,-1.16,;6,-.39,;6,1.15,;4.67,1.93,;7.34,-1.15,;7.34,-2.69,;8.67,-3.46,;6,-3.46,;4.67,-2.69,;3.33,-3.46,;3.33,-5,;4.67,-5.77,;6,-5,;2,-5.77,;.67,-5,;-.67,-5.77,;-.67,-7.31,;.67,-8.08,;2,-7.31,;.67,5.77,;-.67,6.54,)| Show InChI InChI=1S/C29H37FN6O3/c30-23-3-6-25-26(17-23)39-34-27(25)21-8-11-35(12-9-21)10-7-20-1-4-24(5-2-20)33-28(37)22-18-31-29(32-19-22)36-13-15-38-16-14-36/h3,6,17-21,24H,1-2,4-5,7-16H2,(H,33,37)/t20-,24-	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))	BDBM180704 (US8829029, 4D) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2cnc(nc2)N2CCOCC2)CC1 |r,wU:19.24,wD:16.17,(-8.67,3.46,;-7.34,4.23,;-6,3.46,;-4.67,4.23,;-4.67,5.77,;-3.33,6.54,;-3.33,8.08,;-6,8.08,;-6,6.54,;-7.34,5.77,;-2,5.77,;-2,4.23,;-.67,3.46,;.67,4.23,;2,3.46,;2,1.92,;3.33,1.15,;3.33,-.39,;4.67,-1.16,;6,-.39,;6,1.15,;4.67,1.93,;7.34,-1.15,;7.34,-2.69,;8.67,-3.46,;6,-3.46,;4.67,-2.69,;3.33,-3.46,;3.33,-5,;4.67,-5.77,;6,-5,;2,-5.77,;.67,-5,;-.67,-5.77,;-.67,-7.31,;.67,-8.08,;2,-7.31,;.67,5.77,;-.67,6.54,)| Show InChI InChI=1S/C29H37FN6O3/c30-23-3-6-25-26(17-23)39-34-27(25)21-8-11-35(12-9-21)10-7-20-1-4-24(5-2-20)33-28(37)22-18-31-29(32-19-22)36-13-15-38-16-14-36/h3,6,17-21,24H,1-2,4-5,7-16H2,(H,33,37)/t20-,24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.3	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