BDBM50002243 1-Cyclopropylmethyl-4-(4-nitro-phenoxymethyl)-piperidine;0.75hydrate::CHEMBL136395::CHEMBL47251

SMILES: [O-][N+](=O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1

InChI Key: InChIKey=XNJAGXCZRUPRKN-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50002243   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50002243 (1-Cyclopropylmethyl-4-(4-nitro-phenoxymethyl)-pipe...) Show SMILES [O-][N+](=O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1 Show InChI InChI=1S/C16H22N2O3/c19-18(20)15-3-5-16(6-4-15)21-12-14-7-9-17(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ANSTO Curated by ChEMBL					Assay Description Receptor binding affinity against Sigma receptor				J Med Chem 40: 1657-67 (1997) Article DOI: 10.1021/jm960720+ BindingDB Entry DOI: 10.7270/Q29G5KX8
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002243 (1-Cyclopropylmethyl-4-(4-nitro-phenoxymethyl)-pipe...) Show SMILES [O-][N+](=O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1 Show InChI InChI=1S/C16H22N2O3/c19-18(20)15-3-5-16(6-4-15)21-12-14-7-9-17(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	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
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Mus musculus (Mouse))	BDBM50002243 (1-Cyclopropylmethyl-4-(4-nitro-phenoxymethyl)-pipe...) Show SMILES [O-][N+](=O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1 Show InChI InChI=1S/C16H22N2O3/c19-18(20)15-3-5-16(6-4-15)21-12-14-7-9-17(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	215	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
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50002243 (1-Cyclopropylmethyl-4-(4-nitro-phenoxymethyl)-pipe...) Show SMILES [O-][N+](=O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1 Show InChI InChI=1S/C16H22N2O3/c19-18(20)15-3-5-16(6-4-15)21-12-14-7-9-17(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	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
					More data for this Ligand-Target Pair