BDBM180718 US8829029, 18

SMILES: OC1(CC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1

InChI Key: InChIKey=TYMYSUSJLROMAC-RUCARUNLSA-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 = 180718   

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))	BDBM180718 (US8829029, 18) Show SMILES OC1(CC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:7.7,wD:10.11,(7.88,5.3,;6.39,4.9,;5.99,3.41,;7.48,3.81,;5.99,6.39,;7.08,7.48,;4.5,6.79,;3.41,5.7,;3.81,4.21,;2.72,3.12,;1.23,3.52,;.15,2.43,;-1.34,2.83,;-2.43,1.74,;-2.03,.25,;-3.12,-.84,;-4.61,-.44,;-5.01,1.05,;-3.92,2.14,;-5.7,-1.53,;-7.18,-1.13,;-7.88,-3.7,;-6.39,-4.1,;-5.99,-5.59,;-4.5,-5.99,;-4.1,-7.48,;-3.41,-4.9,;-3.81,-3.41,;-5.3,-3.01,;.84,5.01,;1.93,6.1,)| Show InChI InChI=1S/C24H32FN3O3/c25-18-3-6-20-21(15-18)31-27-22(20)17-8-13-28(14-9-17)12-7-16-1-4-19(5-2-16)26-23(29)24(30)10-11-24/h3,6,15-17,19,30H,1-2,4-5,7-14H2,(H,26,29)/t16-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.44	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))	BDBM180718 (US8829029, 18) Show SMILES OC1(CC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:7.7,wD:10.11,(7.88,5.3,;6.39,4.9,;5.99,3.41,;7.48,3.81,;5.99,6.39,;7.08,7.48,;4.5,6.79,;3.41,5.7,;3.81,4.21,;2.72,3.12,;1.23,3.52,;.15,2.43,;-1.34,2.83,;-2.43,1.74,;-2.03,.25,;-3.12,-.84,;-4.61,-.44,;-5.01,1.05,;-3.92,2.14,;-5.7,-1.53,;-7.18,-1.13,;-7.88,-3.7,;-6.39,-4.1,;-5.99,-5.59,;-4.5,-5.99,;-4.1,-7.48,;-3.41,-4.9,;-3.81,-3.41,;-5.3,-3.01,;.84,5.01,;1.93,6.1,)| Show InChI InChI=1S/C24H32FN3O3/c25-18-3-6-20-21(15-18)31-27-22(20)17-8-13-28(14-9-17)12-7-16-1-4-19(5-2-16)26-23(29)24(30)10-11-24/h3,6,15-17,19,30H,1-2,4-5,7-14H2,(H,26,29)/t16-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.92	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