BDBM180698 US8829029, 2

SMILES: Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)C2CCOCC2)CC1

InChI Key: InChIKey=FEQXRZMYCWCJKY-LBZQVFOQSA-N

Data: 2 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 2 hits for monomerid = 180698   

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))	BDBM180698 (US8829029, 2) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)C2CCOCC2)CC1 |r,wU:19.24,wD:16.17,(-6,-5.78,;-6,-4.24,;-4.67,-3.47,;-4.67,-1.93,;-6,-1.16,;-6,.38,;-7.34,1.15,;-8.67,-1.16,;-7.34,-1.93,;-7.34,-3.47,;-4.67,1.15,;-3.33,.38,;-2,1.15,;-2,2.69,;-.67,3.46,;.67,2.69,;2,3.46,;3.33,2.69,;4.67,3.46,;4.67,5,;3.33,5.78,;2,5,;6,5.77,;7.34,5,;8.67,5.77,;7.34,3.46,;6,2.69,;6,1.15,;7.34,.38,;8.67,1.15,;8.67,2.69,;-3.33,3.46,;-4.67,2.69,)| Show InChI InChI=1S/C26H36FN3O3/c27-21-3-6-23-24(17-21)33-29-25(23)19-8-13-30(14-9-19)12-7-18-1-4-22(5-2-18)28-26(31)20-10-15-32-16-11-20/h3,6,17-20,22H,1-2,4-5,7-16H2,(H,28,31)/t18-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.74	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))	BDBM180698 (US8829029, 2) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)C2CCOCC2)CC1 |r,wU:19.24,wD:16.17,(-6,-5.78,;-6,-4.24,;-4.67,-3.47,;-4.67,-1.93,;-6,-1.16,;-6,.38,;-7.34,1.15,;-8.67,-1.16,;-7.34,-1.93,;-7.34,-3.47,;-4.67,1.15,;-3.33,.38,;-2,1.15,;-2,2.69,;-.67,3.46,;.67,2.69,;2,3.46,;3.33,2.69,;4.67,3.46,;4.67,5,;3.33,5.78,;2,5,;6,5.77,;7.34,5,;8.67,5.77,;7.34,3.46,;6,2.69,;6,1.15,;7.34,.38,;8.67,1.15,;8.67,2.69,;-3.33,3.46,;-4.67,2.69,)| Show InChI InChI=1S/C26H36FN3O3/c27-21-3-6-23-24(17-21)33-29-25(23)19-8-13-30(14-9-19)12-7-18-1-4-22(5-2-18)28-26(31)20-10-15-32-16-11-20/h3,6,17-20,22H,1-2,4-5,7-16H2,(H,28,31)/t18-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.74	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