BindingDB PrimarySearch

BDBM50002218 2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro-phenyl)-ethanone; hydrobromide::CHEMBL42228::CHEMBL543412

SMILES: Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1

InChI Key: InChIKey=KWRMWQDKOGFMKP-UHFFFAOYSA-N

Data: 7 KI 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50002218
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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50002218 (2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity for sigma receptor of guinea pig whole brain using [3H]-SKF- 100047 radioligand				J Med Chem 37: 364-70 (1994) BindingDB Entry DOI: 10.7270/Q2WD416F
DuPont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002218 (2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50002218 (2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]- haloperidol				J Med Chem 36: 3923-8 (1994) BindingDB Entry DOI: 10.7270/Q2H13122
New York University Curated by ChEMBL					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Mus musculus (Mouse))	BDBM50002218 (2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin 5-hydroxytryptamine (5-HT) 2 receptors				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair
Dopamine D1 receptor (Mus musculus (Mouse))	BDBM50002218 (2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description The compound was tested in vitro for its binding affinity towards dopamine receptor D1				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50002218 (2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin				J Med Chem 36: 3923-8 (1994) BindingDB Entry DOI: 10.7270/Q2H13122
New York University Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50002218 (2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity for dopamine D2 receptor using [3H]spiperone in guinea pig striatum				J Med Chem 37: 364-70 (1994) BindingDB Entry DOI: 10.7270/Q2WD416F
DuPont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50002218 (2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 binding site using [3H]spiroperidol.				J Med Chem 38: 1998-2008 (1995) BindingDB Entry DOI: 10.7270/Q2SJ1M8P
H. Lundbeck A/S Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50002218 (2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor binding site using [3H]ketanserin .				J Med Chem 38: 1998-2008 (1995) BindingDB Entry DOI: 10.7270/Q2SJ1M8P
H. Lundbeck A/S Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50002218 (2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor binding site using [3H]8-OH-DPAT .				J Med Chem 38: 1998-2008 (1995) BindingDB Entry DOI: 10.7270/Q2SJ1M8P
H. Lundbeck A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50002218 (2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay.				J Med Chem 38: 2009-17 (1995) BindingDB Entry DOI: 10.7270/Q2NS0VKD
H. Lundbeck A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50002218 (2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand				J Med Chem 38: 2009-17 (1995) BindingDB Entry DOI: 10.7270/Q2NS0VKD
H. Lundbeck A/S Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50002218 (2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine receptor D2				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50002218 (2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor binding site 1 using [3H](+)-pentazocine				J Med Chem 38: 1998-2008 (1995) BindingDB Entry DOI: 10.7270/Q2SJ1M8P
H. Lundbeck A/S Curated by ChEMBL					More data for this Ligand-Target Pair