BDBM141839 US8921397, 81

SMILES: CCc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1

InChI Key: InChIKey=DPJONOPQJUKYRM-OJBMAJLDSA-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 = 141839   

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))	BDBM141839 (US8921397, 81) Show SMILES CCc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1 |r,wU:14.15,wD:11.11,(12.15,,;11.38,1.33,;9.84,1.33,;9.07,,;7.53,,;6.76,1.33,;7.53,2.67,;9.07,2.67,;5.22,1.33,;4.45,2.67,;4.45,,;2.91,,;2.14,1.33,;.6,1.33,;-.17,,;-1.71,,;-2.48,-1.33,;-4.02,-1.33,;-4.79,-2.67,;-6.33,-2.67,;-7.1,-1.33,;-6.33,,;-4.79,,;-8.64,-1.33,;-9.54,-2.58,;-11.01,-2.1,;-11.01,-.56,;-12.15,.47,;-11.83,1.97,;-10.37,2.45,;-9.22,1.42,;-9.54,-.09,;.6,-1.33,;2.14,-1.33,)| Show InChI InChI=1S/C30H38N2O2/c1-2-22-7-11-25(12-8-22)30(33)31-26-13-9-23(10-14-26)15-18-32-19-16-24(17-20-32)28-21-34-29-6-4-3-5-27(28)29/h3-8,11-12,21,23-24,26H,2,9-10,13-20H2,1H3,(H,31,33)/t23-,26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.33	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))	BDBM141839 (US8921397, 81) Show SMILES CCc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1 |r,wU:14.15,wD:11.11,(12.15,,;11.38,1.33,;9.84,1.33,;9.07,,;7.53,,;6.76,1.33,;7.53,2.67,;9.07,2.67,;5.22,1.33,;4.45,2.67,;4.45,,;2.91,,;2.14,1.33,;.6,1.33,;-.17,,;-1.71,,;-2.48,-1.33,;-4.02,-1.33,;-4.79,-2.67,;-6.33,-2.67,;-7.1,-1.33,;-6.33,,;-4.79,,;-8.64,-1.33,;-9.54,-2.58,;-11.01,-2.1,;-11.01,-.56,;-12.15,.47,;-11.83,1.97,;-10.37,2.45,;-9.22,1.42,;-9.54,-.09,;.6,-1.33,;2.14,-1.33,)| Show InChI InChI=1S/C30H38N2O2/c1-2-22-7-11-25(12-8-22)30(33)31-26-13-9-23(10-14-26)15-18-32-19-16-24(17-20-32)28-21-34-29-6-4-3-5-27(28)29/h3-8,11-12,21,23-24,26H,2,9-10,13-20H2,1H3,(H,31,33)/t23-,26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.53	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))	BDBM141839 (US8921397, 81) Show SMILES CCc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1 |r,wU:14.15,wD:11.11,(12.15,,;11.38,1.33,;9.84,1.33,;9.07,,;7.53,,;6.76,1.33,;7.53,2.67,;9.07,2.67,;5.22,1.33,;4.45,2.67,;4.45,,;2.91,,;2.14,1.33,;.6,1.33,;-.17,,;-1.71,,;-2.48,-1.33,;-4.02,-1.33,;-4.79,-2.67,;-6.33,-2.67,;-7.1,-1.33,;-6.33,,;-4.79,,;-8.64,-1.33,;-9.54,-2.58,;-11.01,-2.1,;-11.01,-.56,;-12.15,.47,;-11.83,1.97,;-10.37,2.45,;-9.22,1.42,;-9.54,-.09,;.6,-1.33,;2.14,-1.33,)| Show InChI InChI=1S/C30H38N2O2/c1-2-22-7-11-25(12-8-22)30(33)31-26-13-9-23(10-14-26)15-18-32-19-16-24(17-20-32)28-21-34-29-6-4-3-5-27(28)29/h3-8,11-12,21,23-24,26H,2,9-10,13-20H2,1H3,(H,31,33)/t23-,26-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	204	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