BindingDB PrimarySearch

BDBM50175511 CHEMBL95051::MDL-28163::[1-(4-Fluoro-benzyl)-1H-benzoimidazol-2-yl]-{1-[2-(4-methoxy-phenyl)-ethyl]-piperidin-4-yl}-methanone

SMILES: COc1ccc(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)cc1

InChI Key: InChIKey=DIPBPGRFGZKMEF-UHFFFAOYSA-N

Data: 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50175511
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
Neurokinin 1 receptor (GUINEA PIG)	BDBM50175511 (CHEMBL95051 \| MDL-28163 \| [1-(4-Fluoro-benzyl)-1H-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 7: 2825-2830 (1997) Article DOI: 10.1016/S0960-894X(97)10098-1 BindingDB Entry DOI: 10.7270/Q2SF2W50
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50175511 (CHEMBL95051 \| MDL-28163 \| [1-(4-Fluoro-benzyl)-1H-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against histamine H1 receptor				Bioorg Med Chem Lett 7: 2825-2830 (1997) Article DOI: 10.1016/S0960-894X(97)10098-1 BindingDB Entry DOI: 10.7270/Q2SF2W50
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50175511 (CHEMBL95051 \| MDL-28163 \| [1-(4-Fluoro-benzyl)-1H-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the antagonistic activity against Tachykinin receptor 2				Bioorg Med Chem Lett 7: 2819-2824 (1997) Article DOI: 10.1016/S0960-894X(97)10097-X BindingDB Entry DOI: 10.7270/Q29S1RJ0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50175511 (CHEMBL95051 \| MDL-28163 \| [1-(4-Fluoro-benzyl)-1H-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibition constant against histamine H1 receptor				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
Organon Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50175511 (CHEMBL95051 \| MDL-28163 \| [1-(4-Fluoro-benzyl)-1H-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the antagonistic activity against H1 receptor				Bioorg Med Chem Lett 7: 2819-2824 (1997) Article DOI: 10.1016/S0960-894X(97)10097-X BindingDB Entry DOI: 10.7270/Q29S1RJ0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50175511 (CHEMBL95051 \| MDL-28163 \| [1-(4-Fluoro-benzyl)-1H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against neurokinin NK1 receptor				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
Organon Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50175511 (CHEMBL95051 \| MDL-28163 \| [1-(4-Fluoro-benzyl)-1H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the antagonistic activity against NK1 receptor				Bioorg Med Chem Lett 7: 2819-2824 (1997) Article DOI: 10.1016/S0960-894X(97)10097-X BindingDB Entry DOI: 10.7270/Q29S1RJ0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair