null

SMILES: COCC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F

InChI Key: InChIKey=QKTXOFXCKWUIEE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 466564   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM466564 (US10800755, Example 18 | US11014905, Example 18) Show SMILES COCC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F |c:14| Show InChI InChI=1S/C19H26F3N3O2/c1-18(2,13-27-3)17(26)23-9-12-25-10-7-14(8-11-25)15-5-4-6-16(24-15)19(20,21)22/h4-7H,8-13H2,1-3H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	19	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) BindingDB Entry DOI: 10.7270/Q2C53PZQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM466564 (US10800755, Example 18 | US11014905, Example 18) Show SMILES COCC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F |c:14| Show InChI InChI=1S/C19H26F3N3O2/c1-18(2,13-27-3)17(26)23-9-12-25-10-7-14(8-11-25)15-5-4-6-16(24-15)19(20,21)22/h4-7H,8-13H2,1-3H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	21	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) BindingDB Entry DOI: 10.7270/Q2C53PZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM466564 (US10800755, Example 18 | US11014905, Example 18) Show SMILES COCC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F |c:14| Show InChI InChI=1S/C19H26F3N3O2/c1-18(2,13-27-3)17(26)23-9-12-25-10-7-14(8-11-25)15-5-4-6-16(24-15)19(20,21)22/h4-7H,8-13H2,1-3H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.21E+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) BindingDB Entry DOI: 10.7270/Q2C53PZQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM466564 (US10800755, Example 18 | US11014905, Example 18) Show SMILES COCC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F |c:14| Show InChI InChI=1S/C19H26F3N3O2/c1-18(2,13-27-3)17(26)23-9-12-25-10-7-14(8-11-25)15-5-4-6-16(24-15)19(20,21)22/h4-7H,8-13H2,1-3H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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) BindingDB Entry DOI: 10.7270/Q2TM7F5J
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM466564 (US10800755, Example 18 | US11014905, Example 18) Show SMILES COCC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F |c:14| Show InChI InChI=1S/C19H26F3N3O2/c1-18(2,13-27-3)17(26)23-9-12-25-10-7-14(8-11-25)15-5-4-6-16(24-15)19(20,21)22/h4-7H,8-13H2,1-3H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	37	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) BindingDB Entry DOI: 10.7270/Q2TM7F5J
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM466564 (US10800755, Example 18 | US11014905, Example 18) Show SMILES COCC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F |c:14| Show InChI InChI=1S/C19H26F3N3O2/c1-18(2,13-27-3)17(26)23-9-12-25-10-7-14(8-11-25)15-5-4-6-16(24-15)19(20,21)22/h4-7H,8-13H2,1-3H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.21E+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) BindingDB Entry DOI: 10.7270/Q2TM7F5J
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM466564 (US10800755, Example 18 | US11014905, Example 18) Show SMILES COCC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F |c:14| Show InChI InChI=1S/C19H26F3N3O2/c1-18(2,13-27-3)17(26)23-9-12-25-10-7-14(8-11-25)15-5-4-6-16(24-15)19(20,21)22/h4-7H,8-13H2,1-3H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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) BindingDB Entry DOI: 10.7270/Q2TM7F5J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM466564 (US10800755, Example 18 | US11014905, Example 18) Show SMILES COCC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F |c:14| Show InChI InChI=1S/C19H26F3N3O2/c1-18(2,13-27-3)17(26)23-9-12-25-10-7-14(8-11-25)15-5-4-6-16(24-15)19(20,21)22/h4-7H,8-13H2,1-3H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	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) BindingDB Entry DOI: 10.7270/Q2TM7F5J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM466564 (US10800755, Example 18 | US11014905, Example 18) Show SMILES COCC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F |c:14| Show InChI InChI=1S/C19H26F3N3O2/c1-18(2,13-27-3)17(26)23-9-12-25-10-7-14(8-11-25)15-5-4-6-16(24-15)19(20,21)22/h4-7H,8-13H2,1-3H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	68	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) BindingDB Entry DOI: 10.7270/Q2TM7F5J
					More data for this Ligand-Target Pair