BDBM50400741 CHEMBL2165447

SMILES: C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCN1

InChI Key: InChIKey=KZONDTNPVHWVKU-NSHDSACASA-N

Data: 6 KI

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 6 hits for monomerid = 50400741   

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
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50400741 (CHEMBL2165447) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)17-10-13-8-14(16-19-13)18-9-11-6-7-15-11/h1-5,8,11,15H,6-7,9-10H2/t11-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT after 1.5 hrs by microbeta scintillation counting analysis				ACS Med Chem Lett 3: 1054-1058 (2012) Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50400741 (CHEMBL2165447) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)17-10-13-8-14(16-19-13)18-9-11-6-7-15-11/h1-5,8,11,15H,6-7,9-10H2/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma 1 receptor in rat brain membrane after 2.5 hrs by microbeta scintillation counting analysis				ACS Med Chem Lett 3: 1054-1058 (2012) Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50400741 (CHEMBL2165447) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)17-10-13-8-14(16-19-13)18-9-11-6-7-15-11/h1-5,8,11,15H,6-7,9-10H2/t11-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human recombinant NET after 1.5 hrs by microbeta scintillation counting analysis				ACS Med Chem Lett 3: 1054-1058 (2012) Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50400741 (CHEMBL2165447) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)17-10-13-8-14(16-19-13)18-9-11-6-7-15-11/h1-5,8,11,15H,6-7,9-10H2/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor after 1.5 hrs by microbeta scintillation counting analysis				ACS Med Chem Lett 3: 1054-1058 (2012) Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50400741 (CHEMBL2165447) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)17-10-13-8-14(16-19-13)18-9-11-6-7-15-11/h1-5,8,11,15H,6-7,9-10H2/t11-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5-HT6 receptor after 1.5 hrs by microbeta scintillation counting analysis				ACS Med Chem Lett 3: 1054-1058 (2012) Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50400741 (CHEMBL2165447) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)17-10-13-8-14(16-19-13)18-9-11-6-7-15-11/h1-5,8,11,15H,6-7,9-10H2/t11-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human recombinant 5-HT2C receptor after 1.5 hrs by microbeta scintillation counting analysis				ACS Med Chem Lett 3: 1054-1058 (2012) Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS
					More data for this Ligand-Target Pair