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SMILES: FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1

InChI Key: InChIKey=OASSGMBDTDTXKO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 466555   

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))	BDBM466555 (US10800755, Example 11 | US11014905, Example 11) Show SMILES FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1 Show InChI InChI=1S/C19H26F3N3O2/c20-19(21,22)17-3-1-2-16(24-17)14-4-9-25(10-5-14)11-8-23-18(26)15-6-12-27-13-7-15/h1-3,14-15H,4-13H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10	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(2) dopamine receptor (Homo sapiens (Human))	BDBM466555 (US10800755, Example 11 | US11014905, Example 11) Show SMILES FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1 Show InChI InChI=1S/C19H26F3N3O2/c20-19(21,22)17-3-1-2-16(24-17)14-4-9-25(10-5-14)11-8-23-18(26)15-6-12-27-13-7-15/h1-3,14-15H,4-13H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	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))	BDBM466555 (US10800755, Example 11 | US11014905, Example 11) Show SMILES FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1 Show InChI InChI=1S/C19H26F3N3O2/c20-19(21,22)17-3-1-2-16(24-17)14-4-9-25(10-5-14)11-8-23-18(26)15-6-12-27-13-7-15/h1-3,14-15H,4-13H2,(H,23,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44	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))	BDBM466555 (US10800755, Example 11 | US11014905, Example 11) Show SMILES FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1 Show InChI InChI=1S/C19H26F3N3O2/c20-19(21,22)17-3-1-2-16(24-17)14-4-9-25(10-5-14)11-8-23-18(26)15-6-12-27-13-7-15/h1-3,14-15H,4-13H2,(H,23,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	109	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))	BDBM466555 (US10800755, Example 11 | US11014905, Example 11) Show SMILES FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1 Show InChI InChI=1S/C19H26F3N3O2/c20-19(21,22)17-3-1-2-16(24-17)14-4-9-25(10-5-14)11-8-23-18(26)15-6-12-27-13-7-15/h1-3,14-15H,4-13H2,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	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))	BDBM466555 (US10800755, Example 11 | US11014905, Example 11) Show SMILES FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1 Show InChI InChI=1S/C19H26F3N3O2/c20-19(21,22)17-3-1-2-16(24-17)14-4-9-25(10-5-14)11-8-23-18(26)15-6-12-27-13-7-15/h1-3,14-15H,4-13H2,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	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))	BDBM466555 (US10800755, Example 11 | US11014905, Example 11) Show SMILES FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1 Show InChI InChI=1S/C19H26F3N3O2/c20-19(21,22)17-3-1-2-16(24-17)14-4-9-25(10-5-14)11-8-23-18(26)15-6-12-27-13-7-15/h1-3,14-15H,4-13H2,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	82	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM466555 (US10800755, Example 11 | US11014905, Example 11) Show SMILES FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1 Show InChI InChI=1S/C19H26F3N3O2/c20-19(21,22)17-3-1-2-16(24-17)14-4-9-25(10-5-14)11-8-23-18(26)15-6-12-27-13-7-15/h1-3,14-15H,4-13H2,(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	1.27E+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(2) dopamine receptor (Homo sapiens (Human))	BDBM466555 (US10800755, Example 11 | US11014905, Example 11) Show SMILES FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1 Show InChI InChI=1S/C19H26F3N3O2/c20-19(21,22)17-3-1-2-16(24-17)14-4-9-25(10-5-14)11-8-23-18(26)15-6-12-27-13-7-15/h1-3,14-15H,4-13H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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))	BDBM466555 (US10800755, Example 11 | US11014905, Example 11) Show SMILES FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1 Show InChI InChI=1S/C19H26F3N3O2/c20-19(21,22)17-3-1-2-16(24-17)14-4-9-25(10-5-14)11-8-23-18(26)15-6-12-27-13-7-15/h1-3,14-15H,4-13H2,(H,23,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44	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))	BDBM466555 (US10800755, Example 11 | US11014905, Example 11) Show SMILES FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1 Show InChI InChI=1S/C19H26F3N3O2/c20-19(21,22)17-3-1-2-16(24-17)14-4-9-25(10-5-14)11-8-23-18(26)15-6-12-27-13-7-15/h1-3,14-15H,4-13H2,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	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))	BDBM466555 (US10800755, Example 11 | US11014905, Example 11) Show SMILES FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1 Show InChI InChI=1S/C19H26F3N3O2/c20-19(21,22)17-3-1-2-16(24-17)14-4-9-25(10-5-14)11-8-23-18(26)15-6-12-27-13-7-15/h1-3,14-15H,4-13H2,(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	30.8	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