BDBM180701 US8829029, 4A

SMILES: Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccc(nc2)N2CCOCC2)CC1

InChI Key: InChIKey=ZFNISNPBEQEQHE-OKDASEJXSA-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 = 180701   

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))	BDBM180701 (US8829029, 4A) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccc(nc2)N2CCOCC2)CC1 |r,wU:19.24,wD:16.17,(-8.67,3.47,;-7.34,4.23,;-6,3.47,;-4.67,4.23,;-4.67,5.78,;-3.33,6.54,;-3.33,8.08,;-6,8.08,;-6,6.54,;-7.34,5.78,;-2,5.78,;-2,4.23,;-.67,3.47,;.67,4.23,;2,3.47,;2,1.93,;3.33,1.15,;3.33,-.38,;4.67,-1.15,;6,-.38,;6,1.15,;4.67,1.93,;7.34,-1.15,;7.34,-2.69,;8.67,-3.47,;6,-3.47,;4.67,-2.69,;3.33,-3.47,;3.33,-5,;4.67,-5.78,;6,-5,;2,-5.77,;.67,-5,;-.67,-5.77,;-.67,-7.31,;.67,-8.08,;2,-7.31,;.67,5.78,;-.67,6.55,)| Show InChI InChI=1S/C30H38FN5O3/c31-24-4-7-26-27(19-24)39-34-29(26)22-10-13-35(14-11-22)12-9-21-1-5-25(6-2-21)33-30(37)23-3-8-28(32-20-23)36-15-17-38-18-16-36/h3-4,7-8,19-22,25H,1-2,5-6,9-18H2,(H,33,37)/t21-,25-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.70	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))	BDBM180701 (US8829029, 4A) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccc(nc2)N2CCOCC2)CC1 |r,wU:19.24,wD:16.17,(-8.67,3.47,;-7.34,4.23,;-6,3.47,;-4.67,4.23,;-4.67,5.78,;-3.33,6.54,;-3.33,8.08,;-6,8.08,;-6,6.54,;-7.34,5.78,;-2,5.78,;-2,4.23,;-.67,3.47,;.67,4.23,;2,3.47,;2,1.93,;3.33,1.15,;3.33,-.38,;4.67,-1.15,;6,-.38,;6,1.15,;4.67,1.93,;7.34,-1.15,;7.34,-2.69,;8.67,-3.47,;6,-3.47,;4.67,-2.69,;3.33,-3.47,;3.33,-5,;4.67,-5.78,;6,-5,;2,-5.77,;.67,-5,;-.67,-5.77,;-.67,-7.31,;.67,-8.08,;2,-7.31,;.67,5.78,;-.67,6.55,)| Show InChI InChI=1S/C30H38FN5O3/c31-24-4-7-26-27(19-24)39-34-29(26)22-10-13-35(14-11-22)12-9-21-1-5-25(6-2-21)33-30(37)23-3-8-28(32-20-23)36-15-17-38-18-16-36/h3-4,7-8,19-22,25H,1-2,5-6,9-18H2,(H,33,37)/t21-,25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.95	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