BDBM141791 US8921397, 33

SMILES: CCCC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1

InChI Key: InChIKey=PHVNNOMMTJPRIX-XUTJKUGGSA-N

Data: 3 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 3 hits for monomerid = 141791   

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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM141791 (US8921397, 33) Show SMILES CCCC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1 |r,wU:9.9,wD:6.5,(10.61,,;9.07,,;8.3,1.33,;6.76,1.33,;5.99,2.67,;5.99,,;4.45,,;3.68,1.33,;2.14,1.33,;1.37,,;-.17,,;-.94,-1.33,;-2.48,-1.33,;-3.25,-2.67,;-4.79,-2.67,;-5.56,-1.33,;-4.79,,;-3.25,,;-7.1,-1.33,;-8,-2.58,;-9.47,-2.1,;-9.47,-.56,;-10.61,.47,;-10.29,1.97,;-8.83,2.45,;-7.68,1.42,;-8,-.09,;2.14,-1.33,;3.68,-1.33,)| Show InChI InChI=1S/C25H36N2O2/c1-2-5-25(28)26-21-10-8-19(9-11-21)12-15-27-16-13-20(14-17-27)23-18-29-24-7-4-3-6-22(23)24/h3-4,6-7,18-21H,2,5,8-17H2,1H3,(H,26,28)/t19-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description liquots 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 KC1...				US Patent US8921397 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31C3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM141791 (US8921397, 33) Show SMILES CCCC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1 |r,wU:9.9,wD:6.5,(10.61,,;9.07,,;8.3,1.33,;6.76,1.33,;5.99,2.67,;5.99,,;4.45,,;3.68,1.33,;2.14,1.33,;1.37,,;-.17,,;-.94,-1.33,;-2.48,-1.33,;-3.25,-2.67,;-4.79,-2.67,;-5.56,-1.33,;-4.79,,;-3.25,,;-7.1,-1.33,;-8,-2.58,;-9.47,-2.1,;-9.47,-.56,;-10.61,.47,;-10.29,1.97,;-8.83,2.45,;-7.68,1.42,;-8,-.09,;2.14,-1.33,;3.68,-1.33,)| Show InChI InChI=1S/C25H36N2O2/c1-2-5-25(28)26-21-10-8-19(9-11-21)12-15-27-16-13-20(14-17-27)23-18-29-24-7-4-3-6-22(23)24/h3-4,6-7,18-21H,2,5,8-17H2,1H3,(H,26,28)/t19-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description liquots 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 KC1...				US Patent US8921397 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31C3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM141791 (US8921397, 33) Show SMILES CCCC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1 |r,wU:9.9,wD:6.5,(10.61,,;9.07,,;8.3,1.33,;6.76,1.33,;5.99,2.67,;5.99,,;4.45,,;3.68,1.33,;2.14,1.33,;1.37,,;-.17,,;-.94,-1.33,;-2.48,-1.33,;-3.25,-2.67,;-4.79,-2.67,;-5.56,-1.33,;-4.79,,;-3.25,,;-7.1,-1.33,;-8,-2.58,;-9.47,-2.1,;-9.47,-.56,;-10.61,.47,;-10.29,1.97,;-8.83,2.45,;-7.68,1.42,;-8,-.09,;2.14,-1.33,;3.68,-1.33,)| Show InChI InChI=1S/C25H36N2O2/c1-2-5-25(28)26-21-10-8-19(9-11-21)12-15-27-16-13-20(14-17-27)23-18-29-24-7-4-3-6-22(23)24/h3-4,6-7,18-21H,2,5,8-17H2,1H3,(H,26,28)/t19-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	45.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description liquots 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 KC1...				US Patent US8921397 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31C3
					More data for this Ligand-Target Pair