BDBM50246434 2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-fluoro-3-methylquinazolin-4(3H)-one::CHEMBL454642

SMILES: Cn1c(nc2c(F)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1

InChI Key: InChIKey=QMDIXUJXXUMWBD-UHFFFAOYSA-N

Data: 1 KI  4 IC50

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 5 hits for monomerid = 50246434   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50246434 (2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-fluo...) Show SMILES Cn1c(nc2c(F)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C24H26FN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0781	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay				Bioorg Med Chem Lett 21: 5378-83 (2011) Article DOI: 10.1016/j.bmcl.2011.07.006 BindingDB Entry DOI: 10.7270/Q2VX0GXK
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50246434 (2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-fluo...) Show SMILES Cn1c(nc2c(F)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C24H26FN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 18: 6041-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.034 BindingDB Entry DOI: 10.7270/Q2QJ7H5R
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50246434 (2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-fluo...) Show SMILES Cn1c(nc2c(F)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C24H26FN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding assay				Bioorg Med Chem Lett 21: 5378-83 (2011) Article DOI: 10.1016/j.bmcl.2011.07.006 BindingDB Entry DOI: 10.7270/Q2VX0GXK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50246434 (2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-fluo...) Show SMILES Cn1c(nc2c(F)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C24H26FN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 18: 6041-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.034 BindingDB Entry DOI: 10.7270/Q2QJ7H5R
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50246434 (2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-fluo...) Show SMILES Cn1c(nc2c(F)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C24H26FN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells				Bioorg Med Chem Lett 18: 6041-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.034 BindingDB Entry DOI: 10.7270/Q2QJ7H5R
					More data for this Ligand-Target Pair