BDBM50400738 CHEMBL2203551

SMILES: C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1

InChI Key: InChIKey=JUWUZLUBIRHYMM-LBPRGKRZSA-N

Data: 10 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 10 hits for monomerid = 50400738   

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 (RAT)	BDBM50400738 (CHEMBL2203551) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50400738 (CHEMBL2203551) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillat...				Bioorg Med Chem 27: 1824-1835 (2019) Article DOI: 10.1016/j.bmc.2019.03.030
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50400738 (CHEMBL2203551) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	203	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
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50400738 (CHEMBL2203551) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	373	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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50400738 (CHEMBL2203551) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.41E+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 2B (Homo sapiens (Human))	BDBM50400738 (CHEMBL2203551) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10E+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]LSD from human recombinant 5-HT2B 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
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50400738 (CHEMBL2203551) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.16E+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]tiotidine from human recombinant histamine H2 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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50400738 (CHEMBL2203551) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD 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 [125I]Iodopindolol from beta 2 adrenergic 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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50400738 (CHEMBL2203551) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1	PDB 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]pyrilamine from human recombinant histamine H1 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))	BDBM50400738 (CHEMBL2203551) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/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