BindingDB PrimarySearch

BDBM50297861 1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-methyl-N-((tetrahydro-2H-pyran-4-yl)methyl)piperidin-4-amine::CHEMBL550818

SMILES: CN(CC1CCOCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1

InChI Key: InChIKey=CVUXESFCUHCXHB-UHFFFAOYSA-N

Data: 5 KI 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50297861
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297861 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at histamine H1 receptor				Bioorg Med Chem Lett 22: 421-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.115 BindingDB Entry DOI: 10.7270/Q2J103KS
Neurocrine Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297861 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 2916-9 (2010) Article DOI: 10.1016/j.bmcl.2010.03.027 BindingDB Entry DOI: 10.7270/Q20865G0
Neurocrine Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297861 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
Neurocrine Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297861 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
Neurocrine Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50297861 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl scopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 2916-9 (2010) Article DOI: 10.1016/j.bmcl.2010.03.027 BindingDB Entry DOI: 10.7270/Q20865G0
Neurocrine Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50297861 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 2916-9 (2010) Article DOI: 10.1016/j.bmcl.2010.03.027 BindingDB Entry DOI: 10.7270/Q20865G0
Neurocrine Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297861 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES Show InChI	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of human ERG channel by electrophysiology assay				Bioorg Med Chem Lett 20: 2916-9 (2010) Article DOI: 10.1016/j.bmcl.2010.03.027 BindingDB Entry DOI: 10.7270/Q20865G0
Neurocrine Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297861 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES Show InChI	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of human Erg by whole cell patch clamp electrophysiology				Bioorg Med Chem Lett 22: 421-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.115 BindingDB Entry DOI: 10.7270/Q2J103KS
Neurocrine Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50297861 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
Neurocrine Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297861 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES Show InChI	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of human ERG channel expressed in HEK293 cells by patch clamp assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
Neurocrine Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50297861 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES Show InChI	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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
Neurocrine Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50297861 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES Show InChI	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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 20: 2916-9 (2010) Article DOI: 10.1016/j.bmcl.2010.03.027 BindingDB Entry DOI: 10.7270/Q20865G0
Neurocrine Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair