null

SMILES: FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1

InChI Key: InChIKey=CFQKEDUZBWAPMC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 466556   

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))	BDBM466556 (4,4-Difluoro-N-{2-[6-(trifluoromethyl)-3′,6&...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:11| Show InChI InChI=1S/C20H24F5N3O/c21-19(22)8-4-15(5-9-19)18(29)26-10-13-28-11-6-14(7-12-28)16-2-1-3-17(27-16)20(23,24)25/h1-3,6,15H,4-5,7-13H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	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(4) dopamine receptor (Homo sapiens (Human))	BDBM466556 (4,4-Difluoro-N-{2-[6-(trifluoromethyl)-3′,6&...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:11| Show InChI InChI=1S/C20H24F5N3O/c21-19(22)8-4-15(5-9-19)18(29)26-10-13-28-11-6-14(7-12-28)16-2-1-3-17(27-16)20(23,24)25/h1-3,6,15H,4-5,7-13H2,(H,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.5	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))	BDBM466556 (4,4-Difluoro-N-{2-[6-(trifluoromethyl)-3′,6&...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:11| Show InChI InChI=1S/C20H24F5N3O/c21-19(22)8-4-15(5-9-19)18(29)26-10-13-28-11-6-14(7-12-28)16-2-1-3-17(27-16)20(23,24)25/h1-3,6,15H,4-5,7-13H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	357	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))	BDBM466556 (4,4-Difluoro-N-{2-[6-(trifluoromethyl)-3′,6&...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:11| Show InChI InChI=1S/C20H24F5N3O/c21-19(22)8-4-15(5-9-19)18(29)26-10-13-28-11-6-14(7-12-28)16-2-1-3-17(27-16)20(23,24)25/h1-3,6,15H,4-5,7-13H2,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.50E+3	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))	BDBM466556 (4,4-Difluoro-N-{2-[6-(trifluoromethyl)-3′,6&...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:11| Show InChI InChI=1S/C20H24F5N3O/c21-19(22)8-4-15(5-9-19)18(29)26-10-13-28-11-6-14(7-12-28)16-2-1-3-17(27-16)20(23,24)25/h1-3,6,15H,4-5,7-13H2,(H,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	35	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))	BDBM466556 (4,4-Difluoro-N-{2-[6-(trifluoromethyl)-3′,6&...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:11| Show InChI InChI=1S/C20H24F5N3O/c21-19(22)8-4-15(5-9-19)18(29)26-10-13-28-11-6-14(7-12-28)16-2-1-3-17(27-16)20(23,24)25/h1-3,6,15H,4-5,7-13H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	357	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))	BDBM466556 (4,4-Difluoro-N-{2-[6-(trifluoromethyl)-3′,6&...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:11| Show InChI InChI=1S/C20H24F5N3O/c21-19(22)8-4-15(5-9-19)18(29)26-10-13-28-11-6-14(7-12-28)16-2-1-3-17(27-16)20(23,24)25/h1-3,6,15H,4-5,7-13H2,(H,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	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))	BDBM466556 (4,4-Difluoro-N-{2-[6-(trifluoromethyl)-3′,6&...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:11| Show InChI InChI=1S/C20H24F5N3O/c21-19(22)8-4-15(5-9-19)18(29)26-10-13-28-11-6-14(7-12-28)16-2-1-3-17(27-16)20(23,24)25/h1-3,6,15H,4-5,7-13H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM466556 (4,4-Difluoro-N-{2-[6-(trifluoromethyl)-3′,6&...) Show SMILES FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:11| Show InChI InChI=1S/C20H24F5N3O/c21-19(22)8-4-15(5-9-19)18(29)26-10-13-28-11-6-14(7-12-28)16-2-1-3-17(27-16)20(23,24)25/h1-3,6,15H,4-5,7-13H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<10	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