null

SMILES: FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCCOC2)CC1

InChI Key: InChIKey=LUQGVAHGIPCKGZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 466561   

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(2) dopamine receptor (Homo sapiens (Human))	BDBM466561 (N-{2-[6-(Trifluoromethyl)-3′,6′-dihydr...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCCOC2)CC1 |t:11| Show InChI InChI=1S/C19H24F3N3O2/c20-19(21,22)17-5-1-4-16(24-17)14-6-9-25(10-7-14)11-8-23-18(26)15-3-2-12-27-13-15/h1,4-6,15H,2-3,7-13H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned b...				US Patent US11014905 (2021)
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM466561 (N-{2-[6-(Trifluoromethyl)-3′,6′-dihydr...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCCOC2)CC1 |t:11| Show InChI InChI=1S/C19H24F3N3O2/c20-19(21,22)17-5-1-4-16(24-17)14-6-9-25(10-7-14)11-8-23-18(26)15-3-2-12-27-13-15/h1,4-6,15H,2-3,7-13H2,(H,23,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned b...				US Patent US11014905 (2021)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM466561 (N-{2-[6-(Trifluoromethyl)-3′,6′-dihydr...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCCOC2)CC1 |t:11| Show InChI InChI=1S/C19H24F3N3O2/c20-19(21,22)17-5-1-4-16(24-17)14-6-9-25(10-7-14)11-8-23-18(26)15-3-2-12-27-13-15/h1,4-6,15H,2-3,7-13H2,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned b...				US Patent US11014905 (2021)
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM466561 (N-{2-[6-(Trifluoromethyl)-3′,6′-dihydr...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCCOC2)CC1 |t:11| Show InChI InChI=1S/C19H24F3N3O2/c20-19(21,22)17-5-1-4-16(24-17)14-6-9-25(10-7-14)11-8-23-18(26)15-3-2-12-27-13-15/h1,4-6,15H,2-3,7-13H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The activity of the present compound for inhibiting hERG channel was measured by whole-cell patch clamp method with auto patch clamp system, using CH...				US Patent US10800755 (2020)
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM466561 (N-{2-[6-(Trifluoromethyl)-3′,6′-dihydr...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCCOC2)CC1 |t:11| Show InChI InChI=1S/C19H24F3N3O2/c20-19(21,22)17-5-1-4-16(24-17)14-6-9-25(10-7-14)11-8-23-18(26)15-3-2-12-27-13-15/h1,4-6,15H,2-3,7-13H2,(H,23,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description Aequorin, Gα16 proteins, and each receptor were transiently expressed in CHO-K1 cell (Chinese hamster ovary), and seeded to 384-well plate. The ...				US Patent US10800755 (2020)
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM466561 (N-{2-[6-(Trifluoromethyl)-3′,6′-dihydr...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCCOC2)CC1 |t:11| Show InChI InChI=1S/C19H24F3N3O2/c20-19(21,22)17-5-1-4-16(24-17)14-6-9-25(10-7-14)11-8-23-18(26)15-3-2-12-27-13-15/h1,4-6,15H,2-3,7-13H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned b...				US Patent US10800755 (2020)
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM466561 (N-{2-[6-(Trifluoromethyl)-3′,6′-dihydr...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCCOC2)CC1 |t:11| Show InChI InChI=1S/C19H24F3N3O2/c20-19(21,22)17-5-1-4-16(24-17)14-6-9-25(10-7-14)11-8-23-18(26)15-3-2-12-27-13-15/h1,4-6,15H,2-3,7-13H2,(H,23,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned b...				US Patent US10800755 (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM466561 (N-{2-[6-(Trifluoromethyl)-3′,6′-dihydr...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCCOC2)CC1 |t:11| Show InChI InChI=1S/C19H24F3N3O2/c20-19(21,22)17-5-1-4-16(24-17)14-6-9-25(10-7-14)11-8-23-18(26)15-3-2-12-27-13-15/h1,4-6,15H,2-3,7-13H2,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned b...				US Patent US10800755 (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM466561 (N-{2-[6-(Trifluoromethyl)-3′,6′-dihydr...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCCOC2)CC1 |t:11| Show InChI InChI=1S/C19H24F3N3O2/c20-19(21,22)17-5-1-4-16(24-17)14-6-9-25(10-7-14)11-8-23-18(26)15-3-2-12-27-13-15/h1,4-6,15H,2-3,7-13H2,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description Aequorin, Gα16 proteins, and each receptor were transiently expressed in CHO-K1 cell (Chinese hamster ovary), and seeded to 384-well plate. The ...				US Patent US10800755 (2020)
					More data for this Ligand-Target Pair